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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 47801 |  Y1Q |
1 | C22 H25 F3 N6 O4 S | InChI=1S/C22H25F3N6O4S/c1 -15-27-29-31(28-15)14-17- 13-18(22(23,24)25)5-3-16( 17)4-10-21(32)30(2)11-12- 35-19-6-8-20(9-7-19)36(26 ,33)34/h3,5-9,13H,4,10-12 ,14H2,1-2H3,(H2,26,33,34); RBUHUBXITSEUQK-UHFFFAOYSA-N |
Cc1nnn(n1)Cc2cc(ccc2CCC(=O)N(C)CCOc3ccc( cc3)S(=O)(=O)N)C(F)(F)F; CN(CCOc1ccc(cc1 )[S](N)(=O)=O)C(=O)CCc2ccc(cc2Cn3nnc(C)n 3)C(F)(F)F; NS(=O)(=O)c1ccc(cc1)OCCN(C)C (=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F |
N-methyl-3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}-N-[2-(4-sulfamoylphenoxy)ethyl]propanamide |
| 47802 |  Y1R ZINC000037908559 |
2 | C5 H8 N2 O | InChI=1S/C5H8N2O/c1-4(8)5 -2-3-6-7-5/h2-4,8H,1H3,(H ,6,7)/t4-/m0/s1; CABHXTNYNGUYFF-BYPYZUCNSA-N |
CC(O)c1ccn[NH]1; C[C@@H](c1ccn[nH]1)O; C [C@H](O)c1[nH]ncc1; CC(c1ccn[nH]1)O; C[C H](O)c1[nH]ncc1 |
(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol |
| 47803 |  Y1S |
1 | C12 H14 F3 N3 O3 | InChI=1S/C12H14F3N3O3/c13 -12(14,15)8-16-11(20)18-5 -3-17(4-6-18)10(19)9-2-1- 7-21-9/h1-2,7H,3-6,8H2,(H ,16,20); IWBAEWXJNBZVON-UHFFFAOYSA-N |
FC(F)(F)CNC(=O)N1CCN(CC1)C(=O)c2occc2; N 2(CCN(C(=O)c1ccco1)CC2)C(NCC(F)(F)F)=O; c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F |
4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide |
| 47804 |  Y1T |
4 | C28 H24 Cl F6 N7 O4 | InChI=1S/C28H24ClF6N7O4/c 1-38-8-11-2-4-13-17(6-11) 42(28(45)46-10-14-19(31)2 1(33)23(35)22(34)20(14)32 )18(9-39-27(36)37)24(13)4 1-26(44)25(43)40-12-3-5-1 5(29)16(30)7-12/h2-7,18,2 4,38H,8-10H2,1H3,(H,40,43 )(H,41,44)(H4,36,37,39)/t 18-,24+/m1/s1; ZLEHMUPVIABTKG-KOSHJBKYSA-N |
CNCc1ccc2[C@H](NC(=O)C(=O)Nc3ccc(Cl)c(F) c3)[C@@H](CNC(N)=N)N(C(=O)OCc4c(F)c(F)c( F)c(F)c4F)c2c1; CNCc1ccc2c(c1)N(C(C2NC(= O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=N)N)C(=O)OC c4c(c(c(c(c4F)F)F)F)F; Clc1ccc(cc1F)NC(= O)C(=O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCc 1c(F)c(F)c(F)c(F)c1F)CNC; [H]/N=C(/N)\NC [C@@H]1[C@H](c2ccc(cc2N1C(=O)OCc3c(c(c(c (c3F)F)F)F)F)CNC)NC(=O)C(=O)Nc4ccc(c(c4) F)Cl; CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl )c(F)c3)[CH](CNC(N)=N)N(C(=O)OCc4c(F)c(F )c(F)c(F)c4F)c2c1 |
(pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
| 47805 |  Y1U |
1 | C21 H19 Cl2 N5 O2 | InChI=1S/C21H19Cl2N5O2/c1 -27-19-14(12-28(21(27)30) 18-15(22)8-5-9-16(18)23)1 0-24-20(26-19)25-11-17(29 )13-6-3-2-4-7-13/h2-10,17 ,29H,11-12H2,1H3,(H,24,25 ,26); YYLSSOPTVUREJF-UHFFFAOYSA-N |
CN1C(=O)N(Cc2cnc(NC[CH](O)c3ccccc3)nc12) c4c(Cl)cccc4Cl; CN1c2c(cnc(n2)NCC(c3cccc c3)O)CN(C1=O)c4c(cccc4Cl)Cl; Clc1cccc(Cl )c1N1Cc2cnc(nc2N(C)C1=O)NCC(O)c1ccccc1; CN1C(=O)N(Cc2cnc(NC[C@H](O)c3ccccc3)nc12 )c4c(Cl)cccc4Cl; CN1c2c(cnc(n2)NC[C@@H]( c3ccccc3)O)CN(C1=O)c4c(cccc4Cl)Cl |
3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
| 47806 |  Y1V |
0 | C6 H14 N2 O2 | InChI=1S/C6H14N2O2/c1-4(3 -7)2-5(8)6(9)10/h4-5H,2-3 ,7-8H2,1H3,(H,9,10)/t4-,5 +/m1/s1; SKMVYVWGMUZLIX-UHNVWZDZSA-N |
C[C@H](C[C@@H](C(=O)O)N)CN; C[C@@H](CN)C [C@H](N)C(O)=O; C(O)(=O)C(CC(CN)C)N; CC( CC(C(=O)O)N)CN; C[CH](CN)C[CH](N)C(O)=O |
(4R)-5-amino-L-leucine |
| 47807 |  Y1W |
2 | C25 H27 F N2 O6 | InChI=1S/C25H27FN2O6/c1-3 0-17-3-4-20-18(9-17)25(19 (26)12-28-20)21(29)10-24- 33-13-16(14-34-24)27-11-1 5-2-5-22-23(8-15)32-7-6-3 1-22/h2-5,8-9,12,16,21,24 ,27,29H,6-7,10-11,13-14H2 ,1H3/t16-,21-,24-/m0/s1; OWUGLCKBNARAPP-SWDVRCMSSA-N |
COc1ccc2c(c1)c(c(cn2)F)C(CC3OCC(CO3)NCc4 ccc5c(c4)OCCO5)O; COc1ccc2ncc(F)c([C@@H] (O)C[C@@H]3OC[C@H](CO3)NCc4ccc5OCCOc5c4) c2c1; OC(CC1OCC(CO1)NCc1ccc2OCCOc2c1)c1c 2cc(OC)ccc2ncc1F; COc1ccc2ncc(F)c([CH](O )C[CH]3OC[CH](CO3)NCc4ccc5OCCOc5c4)c2c1; COc1ccc2c(c1)c(c(cn2)F)[C@H](CC3OCC(CO3 )NCc4ccc5c(c4)OCCO5)O |
(1S)-2-[(2r,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol |
| 47808 |  Y1X |
4 | C23 H27 Cl F N7 O4 | InChI=1S/C23H27ClFN7O4/c1 -3-36-23(35)32-17-8-12(10 -28-2)4-6-14(17)19(18(32) 11-29-22(26)27)31-21(34)2 0(33)30-13-5-7-15(24)16(2 5)9-13/h4-9,18-19,28H,3,1 0-11H2,1-2H3,(H,30,33)(H, 31,34)(H4,26,27,29)/t18-, 19+/m1/s1; XKEOWEYHUQNCGZ-MOPGFXCFSA-N |
CCOC(=O)N1c2cc(ccc2C(C1CNC(=N)N)NC(=O)C( =O)Nc3ccc(c(c3)F)Cl)CNC; [H]/N=C(/N)\NC[ C@@H]1[C@H](c2ccc(cc2N1C(=O)OCC)CNC)NC(= O)C(=O)Nc3ccc(c(c3)F)Cl; CCOC(=O)N1[CH]( CNC(N)=N)[CH](NC(=O)C(=O)Nc2ccc(Cl)c(F)c 2)c3ccc(CNC)cc13; Clc1ccc(cc1F)NC(=O)C(= O)NC1c2ccc(cc2N(C1CNC(=N)N)C(=O)OCC)CNC; CCOC(=O)N1[C@H](CNC(N)=N)[C@@H](NC(=O)C (=O)Nc2ccc(Cl)c(F)c2)c3ccc(CNC)cc13 |
ethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
| 47809 |  Y1Y |
0 | C11 H15 N O5 S | InChI=1S/C11H15NO5S/c1-6- 2-3-9(18-6)11(16)17-5-8(1 3)7(12)4-10(14)15/h2-3,7- 8,13H,4-5,12H2,1H3,(H,14, 15)/t7-,8+/m0/s1; KXRRUTLJMZJEOR-JGVFFNPUSA-N |
Cc1ccc(s1)C(=O)OC[C@H]([C@H](CC(=O)O)N)O ; Cc1sc(cc1)C(=O)OC[C@@H](O)[C@@H](N)CC( O)=O; Cc1ccc(s1)C(=O)OCC(C(CC(=O)O)N)O; Cc1sc(cc1)C(=O)OC[CH](O)[CH](N)CC(O)=O; Cc1sc(cc1)C(=O)OCC(C(N)CC(O)=O)O |
3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid |
| 47810 |  Y1Z CHEMBL3108801 ZINC000098209626 |
2 | C26 H23 Cl N6 O3 S | InChI=1S/C26H23ClN6O3S/c1 -17-28-29-26-20-7-3-2-6-1 9(20)25(30-33(17)26)18-10 -11-23(32-12-14-36-15-13- 32)22(16-18)31-37(34,35)2 4-9-5-4-8-21(24)27/h2-11, 16,31H,12-15H2,1H3; WLUMGCPGWDQOSB-UHFFFAOYSA-N |
Clc1ccccc1S(=O)(=O)Nc5cc(c4nn2c(nnc2C)c3 ccccc34)ccc5N6CCOCC6; Cc1nnc2n1nc(c3c2cc cc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CC OCC6; Cc1nnc2n1nc(c3ccc(N4CCOCC4)c(N[S]( =O)(=O)c5ccccc5Cl)c3)c6ccccc26 |
2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide |
| 47811 |  Y21 CHEMBL4856594 |
4 | C20 H22 F N3 O4 | InChI=1S/C20H22FN3O4/c1-1 0-9-28-17-15-11(6-13(19(2 6)27)18(25)24(10)15)7-14( 21)16(17)23-5-2-12(8-23)2 0(22)3-4-20/h6-7,10,12H,2 -5,8-9,22H2,1H3,(H,26,27) /t10-,12+/m0/s1; KUJKUYSIFHKKCZ-CMPLNLGQSA-N |
C[CH]1COc2c(N3CC[CH](C3)C4(N)CC4)c(F)cc5 C=C(C(O)=O)C(=O)N1c25; C[C@H]1COc2c3c(cc (c2N4CC[C@H](C4)C5(CC5)N)F)C=C(C(=O)N31) C(=O)O; CC1COc2c3c(cc(c2N4CCC(C4)C5(CC5) N)F)C=C(C(=O)N31)C(=O)O; c1(cc4c5c(c1N2C CC(C2)C3(CC3)N)OCC(N5C(C(C(=O)O)=C4)=O)C )F; C[C@H]1COc2c(N3CC[C@H](C3)C4(N)CC4)c (F)cc5C=C(C(O)=O)C(=O)N1c25 |
(3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid |
| 47812 |  Y22 CHEMBL4576609 ZINC000219656859 |
2 | C18 H11 F6 N3 O2 | InChI=1S/C18H11F6N3O2/c19 -17(20,21)10-3-1-9(2-4-10 )8-25-15-14(16(28)29)26-1 2-6-5-11(18(22,23)24)7-13 (12)27-15/h1-7H,8H2,(H,25 ,27)(H,28,29); FEJSMMIZTOMLEL-UHFFFAOYSA-N |
c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(= O)O)C(F)(F)F; OC(=O)c1nc2ccc(cc2nc1NCc3c cc(cc3)C(F)(F)F)C(F)(F)F; FC(F)(F)c1ccc( cc1)CNc2nc3cc(ccc3nc2C(=O)O)C(F)(F)F |
6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid |
| 47813 |  Y23 |
1 | C25 H22 Cl N5 O | InChI=1S/C25H22ClN5O/c26- 19-5-7-23-22(11-19)21-9-1 0-30(25(32)8-6-20-13-28-1 6-29-20)15-24(21)31(23)14 -18-3-1-17(12-27)2-4-18/h 1-5,7,11,13,16H,6,8-10,14 -15H2,(H,28,29); WFAGAJXFSDAQQY-UHFFFAOYSA-N |
Clc1ccc2n(Cc3ccc(cc3)C#N)c4CN(CCc4c2c1)C (=O)CCc5[nH]cnc5; N#Cc1ccc(cc1)Cn1c2ccc( Cl)cc2c2CCN(Cc12)C(=O)CCc1cnc[NH]1; c1cc (ccc1Cn2c3ccc(cc3c4c2CN(CC4)C(=O)CCc5cnc [nH]5)Cl)C#N |
4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile |
| 47814 |  Y24 |
1 | C30 H47 N5 O5 | InChI=1S/C30H47N5O5/c1-22 (32-14-3-8-27(32)37)19-24 (34-16-5-10-29(34)39)21-2 5(35-17-6-11-30(35)40)20- 23(33-15-4-9-28(33)38)12- 18-31-13-2-7-26(31)36/h22 -25H,2-21H2,1H3/t22-,23-, 24+,25+/m1/s1; NCEAZVHIMHJKAN-NGSHPTGOSA-N |
CC(CC(CC(CC(CCN1CCCC1=O)N2CCCC2=O)N3CCCC 3=O)N4CCCC4=O)N5CCCC5=O; C[C@H](C[C@@H]( C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3C CCC3=O)N4CCCC4=O)N5CCCC5=O; C[CH](C[CH]( C[CH](C[CH](CCN1CCCC1=O)N2CCCC2=O)N3CCCC 3=O)N4CCCC4=O)N5CCCC5=O; CC(N1CCCC1=O)CC (CC(CC(N2CCCC2=O)CCN3CCCC3=O)N4C(=O)CCC4 )N5CCCC5=O |
1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) |
| 47815 |  Y25 ZINC000000164486 |
2 | C5 H4 Cl N O | InChI=1S/C5H4ClNO/c6-4-1- 5(8)3-7-2-4/h1-3,8H; TUIDQYRZDZRHPQ-UHFFFAOYSA-N |
c1c(cncc1Cl)O; Oc1cncc(Cl)c1 | 5-chloropyridin-3-ol |
| 47816 |  Y26 |
7 | C24 H29 Cl F N7 O4 | InChI=1S/C24H29ClFN7O4/c1 -3-8-37-24(36)33-18-9-13( 11-29-2)4-6-15(18)20(19(3 3)12-30-23(27)28)32-22(35 )21(34)31-14-5-7-16(25)17 (26)10-14/h4-7,9-10,19-20 ,29H,3,8,11-12H2,1-2H3,(H ,31,34)(H,32,35)(H4,27,28 ,30)/t19-,20+/m1/s1; YVEFINLMFLWNTD-UXHICEINSA-N |
[H]/N=C(/N)\NC[C@@H]1[C@H](c2ccc(cc2N1C( =O)OCCC)CNC)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl; CCCOC(=O)N1[CH](CNC(N)=N)[CH](NC(=O)C(= O)Nc2ccc(Cl)c(F)c2)c3ccc(CNC)cc13; Clc1c cc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC(= N)N)C(=O)OCCC)CNC; CCCOC(=O)N1[C@H](CNC( N)=N)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2) c3ccc(CNC)cc13; CCCOC(=O)N1c2cc(ccc2C(C1 CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC |
propyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
| 47817 |  Y27 CHEMBL559147 DB08756 |
6 | C14 H21 N3 O | InChI=1S/C14H21N3O/c1-10( 15)11-2-4-12(5-3-11)14(18 )17-13-6-8-16-9-7-13/h6-1 2H,2-5,15H2,1H3,(H,16,17, 18)/t10-,11-,12-/m1/s1; IYOZTVGMEWJPKR-IJLUTSLNSA-N |
C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N; C[CH] (N)[CH]1CC[CH](CC1)C(=O)Nc2ccncc2; CC(C1 CCC(CC1)C(=O)Nc2ccncc2)N; O=C(Nc1ccncc1) C2CCC(C(N)C)CC2; C[C@@H](N)[C@H]1CC[C@@H ](CC1)C(=O)Nc2ccncc2 |
(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE |
| 47818 |  Y28 CHEMBL591689 ZINC000045337729 |
2 | C18 H17 N O6 | InChI=1S/C18H17NO6/c20-16 (18(23)24)19-15(17(21)22) 10-12-6-8-14(9-7-12)25-11 -13-4-2-1-3-5-13/h1-9,15H ,10-11H2,(H,19,20)(H,21,2 2)(H,23,24)/t15-/m1/s1; XBNMVIZFMMWMFD-OAHLLOKOSA-N |
O=C(O)C(=O)NC(C(=O)O)Cc2ccc(OCc1ccccc1)c c2; c1ccc(cc1)COc2ccc(cc2)CC(C(=O)O)NC(= O)C(=O)O; OC(=O)[CH](Cc1ccc(OCc2ccccc2)c c1)NC(=O)C(O)=O; OC(=O)[C@@H](Cc1ccc(OCc 2ccccc2)cc1)NC(=O)C(O)=O; c1ccc(cc1)COc2 ccc(cc2)C[C@H](C(=O)O)NC(=O)C(=O)O |
O-benzyl-N-(carboxycarbonyl)-D-tyrosine; (2R)-2-(carboxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid |
| 47819 |  Y29 |
1 | C13 H12 Cl N5 O | InChI=1S/C13H12ClN5O/c1-1 8-10-7-15-12(17-11(10)19( 2)13(18)20)16-9-5-3-8(14) 4-6-9/h3-7H,1-2H3,(H,15,1 6,17); YVZNBVGHWAPOQZ-UHFFFAOYSA-N |
CN1c2cnc(nc2N(C1=O)C)Nc3ccc(cc3)Cl; CN1C (=O)N(C)c2nc(Nc3ccc(Cl)cc3)ncc12; Clc1cc c(cc1)Nc1ncc2c(n1)N(C)C(=O)N2C |
2-(4-chloroanilino)-7,9-dimethyl-7,9-dihydro-8H-purin-8-one |
| 47820 |  Y2A |
5 | C6 H9 O10 P | InChI=1S/C6H9O10P/c7-3(8) 1-6(12,5(10)11)2-4(9)16-1 7(13,14)15/h12H,1-2H2,(H, 7,8)(H,10,11)(H2,13,14,15 )/t6-/m0/s1; RAAPFOXFYNTKEB-LURJTMIESA-N |
OC(=O)C[C@](O)(CC(=O)O[P](O)(O)=O)C(O)=O ; C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O; C(C(=O)O)C(CC(=O)OP(=O)(O)O)(C(=O)O)O; OC(=O)C[C](O)(CC(=O)O[P](O)(O)=O)C(O)=O; C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O) O |
(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid |
| 47821 |  Y2B CHEMBL2332793 ZINC000095588474 |
2 | C22 H29 F N4 O | InChI=1S/C22H29FN4O/c1-14 -7-18(27-22(24)8-14)10-16 -12-25-13-21(16)28-6-5-26 -20-11-19(20)15-3-2-4-17( 23)9-15/h2-4,7-9,16,19-21 ,25-26H,5-6,10-13H2,1H3,( H2,24,27)/t16-,19-,20+,21 +/m1/s1; OPKCBCPSRYBLIJ-DBOLQNLKSA-N |
Cc1cc(nc(c1)N)CC2CNCC2OCCNC3CC3c4cccc(c4 )F; Cc1cc(N)nc(C[CH]2CNC[CH]2OCCN[CH]3C[ CH]3c4cccc(F)c4)c1; Fc1cccc(c1)C4CC4NCCO C2C(CNC2)Cc3nc(N)cc(c3)C; Cc1cc(nc(c1)N) C[C@@H]2CNC[C@@H]2OCCN[C@H]3C[C@@H]3c4cc cc(c4)F; Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OC CN[C@H]3C[C@@H]3c4cccc(F)c4)c1 |
6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
| 47822 |  Y2C ZINC000019419098 |
2 | C5 H4 Cl2 N2 | InChI=1S/C5H4Cl2N2/c6-3-1 -9-2-4(7)5(3)8/h1-2H,(H2, 8,9); ISIQAMHROGZHOV-UHFFFAOYSA-N |
c1c(c(c(cn1)Cl)N)Cl; Clc1cncc(Cl)c1N; Nc 1c(Cl)cncc1Cl |
3,5-dichloropyridin-4-amine |
| 47823 |  Y2D CHEMBL5417564 |
2 | C22 H20 F3 N5 O2 | InChI=1S/C22H20F3N5O2/c1- 2-21(31)29-12-19(30-11-18 (27-28-30)16-4-3-9-26-10- 16)20(13-29)32-14-15-5-7- 17(8-6-15)22(23,24)25/h2- 11,19-20H,1,12-14H2/t19-, 20-/m1/s1; AZGCPBIUNCLWPF-WOJBJXKFSA-N |
C=CC(=O)N1CC(C(C1)OCc2ccc(cc2)C(F)(F)F)n 3cc(nn3)c4cccnc4; C=CC(=O)N1C[C@H]([C@@H ](C1)OCc2ccc(cc2)C(F)(F)F)n3cc(nn3)c4ccc nc4; FC(F)(F)c1ccc(CO[C@@H]2CN(C[C@H]2n3 cc(nn3)c4cccnc4)C(=O)C=C)cc1; c1cc(C(F)( F)F)ccc1COC2C(CN(C2)C(\C=C)=O)n3cc(nn3)c 4cccnc4; FC(F)(F)c1ccc(CO[CH]2CN(C[CH]2n 3cc(nn3)c4cccnc4)C(=O)C=C)cc1 |
1-[(3R,4R)-3-[4-(pyridin-3-yl)-1H-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one; 1-[(3~{R},4~{R})-3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]prop-2-en-1-one |
| 47824 |  Y2E |
4 | C24 H26 Cl F4 N7 O4 | InChI=1S/C24H26ClF4N7O4/c 1-32-10-12-2-4-14-17(8-12 )36(23(39)40-7-6-24(27,28 )29)18(11-33-22(30)31)19( 14)35-21(38)20(37)34-13-3 -5-15(25)16(26)9-13/h2-5, 8-9,18-19,32H,6-7,10-11H2 ,1H3,(H,34,37)(H,35,38)(H 4,30,31,33)/t18-,19+/m1/s 1; PUALTKTUZNGQRL-MOPGFXCFSA-N |
CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c 3)[CH](CNC(N)=N)N(C(=O)OCCC(F)(F)F)c2c1; [H]/N=C(/N)\NC[C@@H]1[C@H](c2ccc(cc2N1C (=O)OCCC(F)(F)F)CNC)NC(=O)C(=O)Nc3ccc(c( c3)F)Cl; Clc1ccc(cc1F)NC(=O)C(=O)NC1c2cc c(cc2N(C1CNC(=N)N)C(=O)OCCC(F)(F)F)CNC; CNCc1ccc2c(c1)N(C(C2NC(=O)C(=O)Nc3ccc(c( c3)F)Cl)CNC(=N)N)C(=O)OCCC(F)(F)F; CNCc1 ccc2[C@H](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[C @@H](CNC(N)=N)N(C(=O)OCCC(F)(F)F)c2c1 |
3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
| 47825 |  Y2F ZINC000095587214 |
2 | C22 H31 F N4 O | InChI=1S/C22H31FN4O/c1-15 -8-20(27-22(24)9-15)12-18 -13-25-14-21(18)28-7-6-26 -16(2)10-17-4-3-5-19(23)1 1-17/h3-5,8-9,11,16,18,21 ,25-26H,6-7,10,12-14H2,1- 2H3,(H2,24,27)/t16-,18+,2 1-/m0/s1; AUSIEXNWJKDTQY-CDXJDZJCSA-N |
Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@ H](C)Cc3cccc(c3)F; Cc1cc(nc(c1)N)CC2CNCC 2OCCNC(C)Cc3cccc(c3)F; C[CH](Cc1cccc(F)c 1)NCCO[CH]2CNC[CH]2Cc3cc(C)cc(N)n3; C[C@ @H](Cc1cccc(F)c1)NCCO[C@H]2CNC[C@H]2Cc3c c(C)cc(N)n3; Fc1cccc(c1)CC(NCCOC2C(CNC2) Cc3nc(N)cc(c3)C)C |
6-{[(3R,4R)-4-(2-{[(2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
| 47826 |  Y2G ZINC000069537964 |
1 | C14 H21 N3 O4 | InChI=1S/C14H21N3O4/c1-11 -3-4-12(21-11)13(18)16-6- 8-17(9-7-16)14(19)15-5-10 -20-2/h3-4H,5-10H2,1-2H3, (H,15,19); JJPYFJYYNVUAAE-UHFFFAOYSA-N |
Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC; COC CNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2; N2(CCN (C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O |
N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide |
| 47827 |  Y2H |
1 | C26 H29 N7 O2 | InChI=1S/C26H29N7O2/c1-31 -14-12-21(13-15-31)28-24( 34)19-8-10-20(11-9-19)29- 25-27-16-22-23(30-25)32(2 )26(35)33(22)17-18-6-4-3- 5-7-18/h3-11,16,21H,12-15 ,17H2,1-2H3,(H,28,34)(H,2 7,29,30); UGLOBKNDLOPVQW-UHFFFAOYSA-N |
CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3ncc4c(n3)N (C(=O)N4Cc5ccccc5)C; CN1CCC(NC(=O)c2ccc( Nc3nc4N(C)C(=O)N(Cc5ccccc5)c4cn3)cc2)CC1 ; CN1CCC(CC1)NC(=O)c2ccc(Nc3ncc4N(Cc5ccc cc5)C(=O)N(C)c4n3)cc2 |
4-[(7-benzyl-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]-N-(1-methylpiperidin-4-yl)benzamide |
| 47828 |  Y2I |
1 | C30 H36 N6 O2 | InChI=1S/C30H36N6O2/c1-20 -6-9-28(38-11-10-34(3)4)1 5-29(20)30(37)33-21(2)22- 12-23(25-16-31-35(5)18-25 )14-24(13-22)26-17-32-36( 19-26)27-7-8-27/h6,9,12-1 9,21,27H,7-8,10-11H2,1-5H 3,(H,33,37); IVASDCDNDJPYPH-UHFFFAOYSA-N |
Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3cnn(c3) C4CC4)c5cnn(c5)C)OCCN(C)C; Cc1ccc(cc1C(= O)N[C@H](C)c2cc(cc(c2)c3cnn(c3)C4CC4)c5c nn(c5)C)OCCN(C)C; C[C@@H](NC(=O)c1cc(OCC N(C)C)ccc1C)c2cc(cc(c2)c3cnn(c3)C4CC4)c5 cnn(C)c5; CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C )c1cc(cc(c1)c1cn(nc1)C1CC1)c1cn(C)nc1; C [CH](NC(=O)c1cc(OCCN(C)C)ccc1C)c2cc(cc(c 2)c3cnn(c3)C4CC4)c5cnn(C)c5 |
N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
| 47829 |  Y2J |
1 | C13 H18 Cl N3 O4 | InChI=1S/C13H18ClN3O4/c1- 20-9-4-15-13(19)17-7-5-16 (6-8-17)12(18)10-2-3-11(1 4)21-10/h2-3H,4-9H2,1H3,( H,15,19); VHIWNIAUJINVEH-UHFFFAOYSA-N |
COCCNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2; CO CCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl; N2(C CN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O |
4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide |
| 47830 |  Y2K |
4 | C23 H24 Cl F4 N7 O4 | InChI=1S/C23H24ClF4N7O4/c 1-31-8-11-2-4-13-16(6-11) 35(22(38)39-10-23(26,27)2 8)17(9-32-21(29)30)18(13) 34-20(37)19(36)33-12-3-5- 14(24)15(25)7-12/h2-7,17- 18,31H,8-10H2,1H3,(H,33,3 6)(H,34,37)(H4,29,30,32)/ t17-,18+/m1/s1; ZQTHNGZNKSRWJH-MSOLQXFVSA-N |
CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c 3)[CH](CNC(N)=N)N(C(=O)OCC(F)(F)F)c2c1; CNCc1ccc2c(c1)N(C(C2NC(=O)C(=O)Nc3ccc(c( c3)F)Cl)CNC(=N)N)C(=O)OCC(F)(F)F; [H]/N= C(/N)\NC[C@@H]1[C@H](c2ccc(cc2N1C(=O)OCC (F)(F)F)CNC)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl; CNCc1ccc2[C@H](NC(=O)C(=O)Nc3ccc(Cl)c(F )c3)[C@@H](CNC(N)=N)N(C(=O)OCC(F)(F)F)c2 c1; Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2 N(C1CNC(=N)N)C(=O)OCC(F)(F)F)CNC |
2,2,2-trifluoroethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
| 47831 |  Y2L |
2 | C14 H14 F3 N7 O2 | InChI=1S/C14H14F3N7O2/c1- 8-18-22-24(21-8)6-9-5-10( 14(15,16)17)3-4-11(9)26-7 -12-19-20-13(25)23(12)2/h 3-5H,6-7H2,1-2H3,(H,20,25 ); KCJQOLUHLQCUST-UHFFFAOYSA-N |
FC(F)(F)c1cc(Cn2nc(C)nn2)c(cc1)OCC1=NNC( =O)N1C; CN1C(=O)NN=C1COc2ccc(cc2Cn3nnc(C )n3)C(F)(F)F; Cc1nnn(n1)Cc2cc(ccc2OCC3=N NC(=O)N3C)C(F)(F)F |
4-methyl-5-({2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenoxy}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| 47832 |  Y2M |
1 | C15 H21 N3 O3 | InChI=1S/C15H21N3O3/c1-11 -2-5-13(21-11)14(19)17-6- 8-18(9-7-17)15(20)16-10-1 2-3-4-12/h2,5,12H,3-4,6-1 0H2,1H3,(H,16,20); ZXYKAGVWWGHBFN-UHFFFAOYSA-N |
Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3; N 3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3; Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide |
| 47833 |  Y2N |
1 | C27 H31 N5 O2 S | InChI=1S/C27H31N5O2S/c1-1 8-6-7-24(34-9-8-31(3)4)13 -25(18)27(33)30-19(2)20-1 0-21(23-14-29-32(5)16-23) 12-22(11-20)26-15-28-17-3 5-26/h6-7,10-17,19H,8-9H2 ,1-5H3,(H,30,33); HGOCITQKFLPHLS-UHFFFAOYSA-N |
CN(C)CCOc1cc(c(C)cc1)C(=O)NC(C)c1cc(cc(c 1)c1cncs1)c1cn(C)nc1; C[CH](NC(=O)c1cc(O CCN(C)C)ccc1C)c2cc(cc(c2)c3cnn(C)c3)c4sc nc4; Cc1ccc(cc1C(=O)NC(C)c2cc(cc(c2)c3cn cs3)c4cnn(c4)C)OCCN(C)C; Cc1ccc(cc1C(=O) N[C@H](C)c2cc(cc(c2)c3cncs3)c4cnn(c4)C)O CCN(C)C; C[C@@H](NC(=O)c1cc(OCCN(C)C)ccc 1C)c2cc(cc(c2)c3cnn(C)c3)c4scnc4 |
5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide |
| 47834 |  Y2O |
4 | C28 H29 Cl F N7 O4 | InChI=1S/C28H29ClFN7O4/c1 -33-13-17-7-9-19-22(11-17 )37(28(40)41-15-16-5-3-2- 4-6-16)23(14-34-27(31)32) 24(19)36-26(39)25(38)35-1 8-8-10-20(29)21(30)12-18/ h2-12,23-24,33H,13-15H2,1 H3,(H,35,38)(H,36,39)(H4, 31,32,34)/t23-,24+/m1/s1; JMHDRQIIOQZAQE-RPWUZVMVSA-N |
CNCc1ccc2c(c1)N(C(C2NC(=O)C(=O)Nc3ccc(c( c3)F)Cl)CNC(=N)N)C(=O)OCc4ccccc4; CNCc1c cc2[C@H](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[C@ @H](CNC(N)=N)N(C(=O)OCc4ccccc4)c2c1; Clc 1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2N(C1CNC (=N)N)C(=O)OCc1ccccc1)CNC; [H]/N=C(/N)\N C[C@@H]1[C@H](c2ccc(cc2N1C(=O)OCc3ccccc3 )CNC)NC(=O)C(=O)Nc4ccc(c(c4)F)Cl; CNCc1c cc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH] (CNC(N)=N)N(C(=O)OCc4ccccc4)c2c1 |
benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate |
| 47835 |  Y2P CHEMBL4787599 |
4 | C29 H27 F5 N6 O4 | InChI=1S/C29H27F5N6O4/c1- 16(29(32,33)34)39(12-17-3 -6-20(30)7-4-17)25(42)15- 40-26(43)28(37-27(40)44)1 0-23(31)21-9-18(5-8-22(21 )28)19-11-36-38(13-19)14- 24(41)35-2/h3-9,11,13,16, 23H,10,12,14-15H2,1-2H3,( H,35,41)(H,37,44)/t16-,23 +,28-/m0/s1; SWXCHCQCWFXILM-DAXQEMQKSA-N |
N4(C(C1(CC(c2c1ccc(c2)c3cn(nc3)CC(=O)NC) F)NC4=O)=O)CC(N(Cc5ccc(cc5)F)C(C)C(F)(F) F)=O; C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C( =O)CN2C(=O)[C@@]3(C[C@H](c4c3ccc(c4)c5cn n(c5)CC(=O)NC)F)NC2=O; CC(C(F)(F)F)N(Cc1 ccc(cc1)F)C(=O)CN2C(=O)C3(CC(c4c3ccc(c4) c5cnn(c5)CC(=O)NC)F)NC2=O; CNC(=O)Cn1cc( cn1)c2ccc3c(c2)[CH](F)C[C]34NC(=O)N(CC(= O)N(Cc5ccc(F)cc5)[CH](C)C(F)(F)F)C4=O; C NC(=O)Cn1cc(cn1)c2ccc3c(c2)[C@H](F)C[C@] 34NC(=O)N(CC(=O)N(Cc5ccc(F)cc5)[C@@H](C) C(F)(F)F)C4=O |
2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide |
| 47836 |  Y2Q |
1 | C22 H22 Cl2 N4 O3 S | InChI=1S/C22H22Cl2N4O3S/c 23-17-5-13(6-18(24)10-17) 3-4-32(30,31)19-7-15-11-2 8(12-16(15)8-19)22(29)14- 1-2-20-21(9-14)26-27-25-2 0/h1-2,5-6,9-10,15-16,19H ,3-4,7-8,11-12H2,(H,25,26 ,27); WHPLZWPELMTYQP-UHFFFAOYSA-N |
Clc1cc(cc(Cl)c1)CCS(=O)(=O)C1CC2CN(CC2C1 )C(=O)c1cc2nn[NH]c2cc1; Clc1cc(Cl)cc(CC[ S](=O)(=O)C2C[CH]3CN(C[CH]3C2)C(=O)c4ccc 5[nH]nnc5c4)c1; c1cc2c(cc1C(=O)N3CC4CC(C C4C3)S(=O)(=O)CCc5cc(cc(c5)Cl)Cl)nn[nH]2 ; c1cc2c(cc1C(=O)N3C[C@H]4CC(C[C@H]4C3)S (=O)(=O)CCc5cc(cc(c5)Cl)Cl)nn[nH]2; Clc1 cc(Cl)cc(CC[S](=O)(=O)C2C[C@H]3CN(C[C@H] 3C2)C(=O)c4ccc5[nH]nnc5c4)c1 |
(1H-benzotriazol-5-yl)[(3aR,5r,6aS)-5-[2-(3,5-dichlorophenyl)ethanesulfonyl]hexahydrocyclopenta[c]pyrrol-2(1H)-yl]methanone |
| 47837 |  Y2R |
1 | C29 H33 N3 O2 S2 | InChI=1S/C29H33N3O2S2/c1- 19-7-8-24(34-12-11-32(3)4 )17-26(19)29(33)31-20(2)2 1-14-22(27-6-5-13-35-27)1 6-23(15-21)28-10-9-25(18- 30)36-28/h5-10,13-17,20H, 11-12,18,30H2,1-4H3,(H,31 ,33); LNRHXFDDRMUVPS-UHFFFAOYSA-N |
NCc1ccc(s1)c1cc(cc(c1)c1cccs1)C(C)NC(=O) c1cc(OCCN(C)C)ccc1C; Cc1ccc(cc1C(=O)NC(C )c2cc(cc(c2)c3ccc(s3)CN)c4cccs4)OCCN(C)C ; Cc1ccc(cc1C(=O)N[C@H](C)c2cc(cc(c2)c3c cc(s3)CN)c4cccs4)OCCN(C)C; C[CH](NC(=O)c 1cc(OCCN(C)C)ccc1C)c2cc(cc(c2)c3sc(CN)cc 3)c4sccc4; C[C@@H](NC(=O)c1cc(OCCN(C)C)c cc1C)c2cc(cc(c2)c3sc(CN)cc3)c4sccc4 |
N-{(1R)-1-[(3P,5P)-3-[5-(aminomethyl)thiophen-2-yl]-5-(thiophen-2-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide |
| 47838 |  Y2S |
2 | C26 H30 F3 N3 O3 | InChI=1S/C26H30F3N3O3/c1- 30-24(33)13-18-4-3-5-19(1 2-18)15-32-25(34)22-14-20 (23(35-2)16-31-22)9-6-17- 7-10-21(11-8-17)26(27,28) 29/h3-6,9,12,14,16-17,21H ,7-8,10-11,13,15H2,1-2H3, (H,30,33)(H,32,34)/b9-6+/ t17-,21-; YBEYBRFOUHYJAL-ZDXIVYMOSA-N |
CNC(=O)Cc1cccc(c1)CNC(=O)c2cc(c(cn2)OC)/ C=C/C3CCC(CC3)C(F)(F)F; CNC(=O)Cc1cccc(C NC(=O)c2cc(/C=C/[C@H]3CC[C@@H](CC3)C(F)( F)F)c(OC)cn2)c1; C(NCc1cc(CC(NC)=O)ccc1) (=O)c2ncc(c(c2)[C@H]=[C@H]C3CCC(CC3)C(F) (F)F)OC; CNC(=O)Cc1cccc(c1)CNC(=O)c2cc(c (cn2)OC)C=CC3CCC(CC3)C(F)(F)F; CNC(=O)Cc 1cccc(CNC(=O)c2cc(C=C[CH]3CC[CH](CC3)C(F )(F)F)c(OC)cn2)c1 |
5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide |
| 47839 |  Y2U |
1 | C18 H17 Cl N4 O2 | InChI=1S/C18H17ClN4O2/c19 -12-2-1-10-4-13(5-11(10)3 -12)21-18-20-6-15-16(22-1 8)7-23(17(15)24)14-8-25-9 -14/h1-3,6,13-14H,4-5,7-9 H2,(H,20,21,22)/t13-/m0/s 1; IRYDHCPYJSJTMH-ZDUSSCGKSA-N |
Clc1ccc2CC(Cc2c1)Nc1nc2CN(C3COC3)C(=O)c2 cn1; Clc1ccc2C[CH](Cc2c1)Nc3ncc4C(=O)N(C c4n3)C5COC5; Clc1ccc2C[C@H](Cc2c1)Nc3ncc 4C(=O)N(Cc4n3)C5COC5; c1cc2c(cc1Cl)CC(C2 )Nc3ncc4c(n3)CN(C4=O)C5COC5; c1cc2c(cc1C l)C[C@@H](C2)Nc3ncc4c(n3)CN(C4=O)C5COC5 |
2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}-6-(oxetan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one |
| 47840 |  Y2V |
1 | C13 H16 F3 N3 O3 | InChI=1S/C13H16F3N3O3/c1- 9-2-3-10(22-9)11(20)18-4- 6-19(7-5-18)12(21)17-8-13 (14,15)16/h2-3H,4-8H2,1H3 ,(H,17,21); RWJVYBNMCXCYMJ-UHFFFAOYSA-N |
Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F ; N2(C(NCC(F)(F)F)=O)CCN(C(c1ccc(C)o1)=O )CC2; Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC( F)(F)F |
4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide |
| 47841 |  Y2W |
4 | C7 H15 N O6 S | InChI=1S/C7H15NO6S/c8-4-1 -5(9)7(11)6(10)3(4)2-15(1 2,13)14/h3-7,9-11H,1-2,8H 2,(H,12,13,14)/t3-,4+,5-, 6+,7+/m0/s1; UVCDOBMNOOKYMK-PJEQPVAWSA-N |
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O) CS(=O)(=O)O)N; N[C@@H]1C[C@H](O)[C@@H](O )[C@H](O)[C@H]1C[S](O)(=O)=O; C1C(C(C(C( C1O)O)O)CS(=O)(=O)O)N; N[CH]1C[CH](O)[CH ](O)[CH](O)[CH]1C[S](O)(=O)=O |
[(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
| 47842 |  Y2Y |
0 | C7 H13 N O5 | InChI=1S/C7H13NO5/c8-4(3- 7(12)13)5(9)1-2-6(10)11/h 4-5,9H,1-3,8H2,(H,10,11)( H,12,13)/t4-,5+/m0/s1; XBEFTDYWKMUVOR-CRCLSJGQSA-N |
C(CC(=O)O)C(C(CC(=O)O)N)O; N[CH](CC(O)=O )[CH](O)CCC(O)=O; NC(CC(O)=O)C(CCC(=O)O) O; C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O; N[ C@@H](CC(O)=O)[C@H](O)CCC(O)=O |
(3S,4R)-3-amino-4-hydroxyheptanedioic acid |
| 47843 |  Y2Z CHEMBL5850191 |
1 | C19 H16 Cl F3 N4 O4 | InChI=1S/C19H16ClF3N4O4/c 1-9-5-15(30-8-16-25-26-18 (29)27(16)2)12(7-13(9)20) 11-6-10(17(24)28)3-4-14(1 1)31-19(21,22)23/h3-7H,8H 2,1-2H3,(H2,24,28)(H,26,2 9); ACIBSLCLVXIHRD-UHFFFAOYSA-N |
CN1C(=O)NN=C1COc2cc(C)c(Cl)cc2c3cc(ccc3O C(F)(F)F)C(N)=O; Cc1cc(c(cc1Cl)c2cc(ccc2 OC(F)(F)F)C(=O)N)OCC3=NNC(=O)N3C; NC(=O) c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(OC (F)(F)F)cc1 |
(1P)-5'-chloro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-6-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide |
| 47844 |  Y3 CHEMBL144613 ZINC000001621007 |
3 | C12 H11 N O8 S2 | InChI=1S/C12H11NO8S2/c1-6 (14)13-10-4-8(22(16,17)18 )2-7-3-9(23(19,20)21)5-11 (15)12(7)10/h2-5,15H,1H3, (H,13,14)(H,16,17,18)(H,1 9,20,21); DACUJXBUANTBKE-UHFFFAOYSA-N |
CC(=O)Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O) [S](O)(=O)=O; CC(=O)Nc1cc(cc2c1c(cc(c2)S (=O)(=O)O)O)S(=O)(=O)O; O=S(=O)(O)c1cc(N C(=O)C)c2c(c1)cc(cc2O)S(=O)(=O)O |
4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID |
| 47845 |  Y30 CHEMBL4160424 ZINC000169348043 |
1 | C30 H29 Cl2 N3 O5 | InChI=1S/C30H29Cl2N3O5/c1 -30(2,3)34-28(37)27(25-23 -13-10-21(32)14-24(23)33- 26(25)29(38)39)35(17-36)1 5-18-6-11-22(12-7-18)40-1 6-19-4-8-20(31)9-5-19/h4- 14,17,27,33H,15-16H2,1-3H 3,(H,34,37)(H,38,39)/t27- /m0/s1; PESUUIPTWNTJKA-MHZLTWQESA-N |
CC(C)(C)NC(=O)C(c1c2ccc(cc2[nH]c1C(=O)O) Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O; CC(C )(C)NC(=O)[CH](N(Cc1ccc(OCc2ccc(Cl)cc2)c c1)C=O)c3c([nH]c4cc(Cl)ccc34)C(O)=O; Clc 1ccc(cc1)COc2ccc(cc2)CN(C=O)C(c4c3ccc(Cl )cc3nc4C(=O)O)C(=O)NC(C)(C)C; CC(C)(C)NC (=O)[C@@H](N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C =O)c3c([nH]c4cc(Cl)ccc34)C(O)=O; CC(C)(C )NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl )N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O |
3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid |
| 47846 |  Y31 CHEMBL247336 ZINC000000039490 |
1 | C6 H4 Br N O2 | InChI=1S/C6H4BrNO2/c7-5-1 -4(6(9)10)2-8-3-5/h1-3H,( H,9,10); FQIUCPGDKPXSLL-UHFFFAOYSA-N |
OC(=O)c1cncc(Br)c1; c1c(cncc1Br)C(=O)O; c1(Br)cc(cnc1)C(O)=O |
5-bromopyridine-3-carboxylic acid |
| 47847 |  Y32 |
2 | C18 H18 N2 O5 | InChI=1S/C18H18N2O5/c19-1 6(21)10-9-15(18(23)24)20- 17(22)12-5-4-8-14(11-12)2 5-13-6-2-1-3-7-13/h1-8,11 ,15H,9-10H2,(H2,19,21)(H, 20,22)(H,23,24)/t15-/m0/s 1; MLMXIRRYCOORCS-HNNXBMFYSA-N |
NC(=O)CC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1) C(O)=O; c1ccc(cc1)Oc2cccc(c2)C(=O)NC(CCC (=O)N)C(=O)O; c1ccc(cc1)Oc2cccc(c2)C(=O) N[C@@H](CCC(=O)N)C(=O)O; NC(=O)CC[CH](NC (=O)c1cccc(Oc2ccccc2)c1)C(O)=O |
(2~{S})-5-azanyl-5-oxidanylidene-2-[(3-phenoxyphenyl)carbonylamino]pentanoic acid |
| 47848 |  Y33 |
30 | C17 H27 N3 O6 S | InChI=1S/C17H27N3O6S/c1-8 (21)12(15(23)24)17(2)6-11 (13(19-17)16(25)26)27-9-5 -10(18-7-9)14(22)20(3)4/h 8-10,12,18-19,21H,5-7H2,1 -4H3,(H,23,24)(H,25,26)/t 8-,9+,10+,12+,17-/m1/s1; VXMSHTHJORSDKD-YTOYJYLESA-N |
CC(C(C(=O)O)C1(CC(=C(N1)C(=O)O)SC2CC(NC2 )C(=O)N(C)C)C)O; C[C@@H](O)[C@@H](C(O)=O )[C@@]1(C)CC(=C(N1)C(O)=O)S[C@@H]2CN[C@@ H](C2)C(=O)N(C)C; CC1(CC(SC2CC(NC2)C(=O) N(C)C)=C(N1)C(=O)O)C(C(O)C)C(=O)O; C[C@H ]([C@@H](C(=O)O)[C@]1(CC(=C(N1)C(=O)O)S[ C@H]2C[C@H](NC2)C(=O)N(C)C)C)O; C[CH](O) [CH](C(O)=O)[C]1(C)CC(=C(N1)C(O)=O)S[CH] 2CN[CH](C2)C(=O)N(C)C |
(5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
| 47849 |  Y34 ZINC000005177765 |
1 | C7 H6 O4 S | InChI=1S/C7H6O4S/c8-7(9)6 -5-4(3-12-6)10-1-2-11-5/h 3H,1-2H2,(H,8,9); DCCRIIFBJZOPAV-UHFFFAOYSA-N |
OC(=O)c1scc2OCCOc12; C2COc1c(csc1C(=O)O) O2; c1c2c(c(s1)C(=O)O)OCCO2 |
2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid |
| 47850 |  Y35 |
2 | C44 H46 B N4 O5 | InChI=1S/C44H46BN4O5/c46- 28-30-5-1-7-34(23-30)32-1 5-19-48(20-16-32)43(50)38 -11-3-9-36(25-38)37-10-4- 12-40(26-37)45(52)53-41-1 4-13-39(27-42(41)54-45)44 (51)49-21-17-33(18-22-49) 35-8-2-6-31(24-35)29-47/h 1-14,23-27,32-33,52H,15-2 2,28-29,46-47H2/q-1/t45-/ m1/s1; BXWXLCXUQLTPFH-WBVITSLISA-N |
NCc1cccc(c1)[CH]2CCN(CC2)C(=O)c3cccc(c3) c4cccc(c4)[B-]5(O)Oc6ccc(cc6O5)C(=O)N7CC [CH](CC7)c8cccc(CN)c8; NCc1cccc(c1)[C@H] 2CCN(CC2)C(=O)c3cccc(c3)c4cccc(c4)[B-]5( O)Oc6ccc(cc6O5)C(=O)N7CC[C@@H](CC7)c8ccc c(CN)c8; [B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(C C3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(= O)N7CCC(CC7)c8cccc(c8)CN)O; O=C(N2CCC(c1 cc(ccc1)CN)CC2)c3cccc(c3)c4cc(ccc4)[B-]5 (Oc6c(O5)cc(cc6)C(=O)N7CCC(CC7)c8cc(ccc8 )CN)O |
(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-) |
| 47851 |  Y36 CHEMBL5569832 |
1 | C29 H30 N6 O3 S | InChI=1S/C29H30N6O3S/c1-5 -39(37,38)33-23-16-20(21- 17-24(30-3)28(36)34(4)19- 21)18-25-22(23)12-15-35(2 5)29(2,26-10-6-8-13-31-26 )27-11-7-9-14-32-27/h6-19 ,30,33H,5H2,1-4H3; LWAOKJXRYBDGOH-UHFFFAOYSA-N |
CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3) c4ccccn4)C5=CN(C(=O)C(=C5)NC)C; c2(cc(C1 =CN(C(C(=C1)NC)=O)C)cc3c2ccn3C(c4ncccc4) (c5ncccc5)C)NS(CC)(=O)=O; CC[S](=O)(=O)N c1cc(cc2n(ccc12)C(C)(c3ccccn3)c4ccccn4)C 5=CN(C)C(=O)C(=C5)NC |
N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide |
| 47852 |  Y37 |
3 | C14 H18 F N2 O7 P | InChI=1S/C14H18FN2O7P/c1- 7-13(18)10(9(4-16-7)6-24- 25(21,22)23)5-17-12-3-8(1 4(19)20)2-11(12)15/h3-4,8 ,11,17-18H,2,5-6H2,1H3,(H ,19,20)(H2,21,22,23)/t8-, 11-/m1/s1; YUSFTNIOKSVGAN-LDYMZIIASA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[ C@H]2F)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c( CNC2=C[CH](C[CH]2F)C(O)=O)c1O; C1C(C(=CC 1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F; C c1ncc(CO[P](O)(O)=O)c(CNC2=C[C@@H](C[C@H ]2F)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O )CNC2=CC(CC2F)C(=O)O)O |
(1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid |
| 47853 |  Y38 CHEMBL3971551 ZINC000095920991 |
4 | C26 H28 N2 O5 S | InChI=1S/C26H28N2O5S/c1-1 9(2)24(26(30)31)28(18-17- 27-25(29)22-11-7-4-8-12-2 2)34(32,33)23-15-13-21(14 -16-23)20-9-5-3-6-10-20/h 3-16,19,24H,17-18H2,1-2H3 ,(H,27,29)(H,30,31)/t24-/ m1/s1; BKYHPXRQAHYJBN-XMMPIXPASA-N |
CC(C)[CH](N(CCNC(=O)c1ccccc1)[S](=O)(=O) c2ccc(cc2)c3ccccc3)C(O)=O; CC(C)[C@@H](N (CCNC(=O)c1ccccc1)[S](=O)(=O)c2ccc(cc2)c 3ccccc3)C(O)=O; O=S(=O)(N(C(C(=O)O)C(C)C )CCNC(=O)c1ccccc1)c3ccc(c2ccccc2)cc3; CC (C)C(C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O) c2ccc(cc2)c3ccccc3; CC(C)[C@H](C(=O)O)N( CCNC(=O)c1ccccc1)S(=O)(=O)c2ccc(cc2)c3cc ccc3 |
N-[2-(benzoylamino)ethyl]-N-(biphenyl-4-ylsulfonyl)-D-valine |
| 47854 |  Y39 ZINC000060025617 |
3 | C13 H24 O2 | InChI=1S/C13H24O2/c1-2-3- 4-5-6-7-8-9-11-10-12(11)1 3(14)15/h11-12H,2-10H2,1H 3,(H,14,15)/t11-,12-/m0/s 1; GVGYASDUOPEXET-RYUDHWBXSA-N |
CCCCCCCCC[C@H]1C[C@@H]1C(O)=O; CCCCCCCCC [C@H]1C[C@@H]1C(=O)O; CCCCCCCCCC1CC1C(=O )O; CCCCCCCCC[CH]1C[CH]1C(O)=O; O=C(O)C1 CC1CCCCCCCCC |
(1S,2S)-2-nonylcyclopropanecarboxylic acid |
| 47855 |  Y3A ZINC000263621179 |
5 | C22 H26 Cl N3 O5 | InChI=1S/C22H26ClN3O5/c23 -12-19(27)18(11-16-7-3-1- 4-8-16)26-21(29)14-24-20( 28)13-25-22(30)31-15-17-9 -5-2-6-10-17/h1-10,18-19, 27H,11-15H2,(H,24,28)(H,2 5,30)(H,26,29)/t18-,19-/m 0/s1; WLEADEPGUSFGIL-OALUTQOASA-N |
O[C@@H](CCl)[C@H](Cc1ccccc1)NC(=O)CNC(=O )CNC(=O)OCc2ccccc2; O[CH](CCl)[CH](Cc1cc ccc1)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2; c1c cc(cc1)CC(C(CCl)O)NC(=O)CNC(=O)CNC(=O)OC c2ccccc2; ClCC(O)C(NC(=O)CNC(=O)CNC(=O)O Cc1ccccc1)Cc2ccccc2; c1ccc(cc1)C[C@@H]([ C@H](CCl)O)NC(=O)CNC(=O)CNC(=O)OCc2ccccc 2 |
N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide; Z-Gly-Gly-Phe-Chloromethyl ketone (bound form) |
| 47856 |  Y3B |
2 | C27 H29 N7 O4 | InChI=1S/C27H29N7O4/c1-27 (2,3)25(36)29-22-8-16(10- 28)4-5-18(22)15-38-26(37) 34-13-19-11-33(12-20(19)1 4-34)24(35)17-6-7-21-23(9 -17)31-32-30-21/h4-9,19-2 0H,11-15H2,1-3H3,(H,29,36 )(H,30,31,32); KVEPWXPZENHUEG-UHFFFAOYSA-N |
CC(C)(C)C(=O)Nc1cc(ccc1COC(=O)N2C[CH]3CN (C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)C#N; CC( C)(C)C(=O)Nc1cc(ccc1COC(=O)N2C[C@@H]3CN( C[C@H]3C2)C(=O)c4ccc5[nH]nnc5c4)C#N; CC( C)(C)C(=O)Nc1cc(ccc1COC(=O)N2CC3CN(CC3C2 )C(=O)c4ccc5c(c4)nn[nH]5)C#N; CC(C)(C)C( =O)Nc1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3 C2)C(=O)c4ccc5c(c4)nn[nH]5)C#N; CC(C)(C) C(=O)Nc1cc(C#N)ccc1COC(=O)N1CC2CN(CC2C1) C(=O)c1cc2nn[NH]c2cc1 |
[4-cyano-2-(2,2-dimethylpropanamido)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
| 47857 |  Y3C |
1 | C22 H23 N3 O5 | InChI=1S/C22H23N3O5/c23-1 9(26)11-10-17(22(29)30)24 -20(27)18(12-14-6-2-1-3-7 -14)25-13-15-8-4-5-9-16(1 5)21(25)28/h1-9,17-18H,10 -13H2,(H2,23,26)(H,24,27) (H,29,30)/t17-,18-/m0/s1; HSTLLKBRGCBKBS-ROUUACIJSA-N |
NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)N2Cc 3ccccc3C2=O)C(O)=O; NC(=O)CC[CH](NC(=O)[ CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=O; c1 ccc(cc1)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C( =O)O)N2Cc3ccccc3C2=O; c1ccc(cc1)CC(C(=O) NC(CCC(=O)N)C(=O)O)N2Cc3ccccc3C2=O |
(2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid |
| 47858 |  Y3D |
3 | C14 H17 N2 O8 P | InChI=1S/C14H17N2O8P/c1-7 -13(18)10(9(4-15-7)6-24-2 5(21,22)23)5-16-11-2-8(14 (19)20)3-12(11)17/h4-5,8, 11,18H,2-3,6H2,1H3,(H,19, 20)(H2,21,22,23)/b16-5+/t 8-,11+/m1/s1; XLGFWCHBZWEILL-SNTOBFBISA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2C[C@ H](CC2=O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)( O)O)C=NC2CC(CC2=O)C(=O)O)O; [C@H](c1c(cn c(C)c1O)COP(=O)(O)O)=NC2CC(CC2=O)C(O)=O; Cc1ncc(CO[P](O)(O)=O)c(C=N[CH]2C[CH](CC 2=O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C =N[C@H]2C[C@H](CC2=O)C(O)=O)c1O |
(1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid |
| 47859 |  Y3E CHEMBL571436 ZINC000001596410 |
1 | C9 H7 N S2 | InChI=1S/C9H7NS2/c11-9-10 -8(6-12-9)7-4-2-1-3-5-7/h 1-6H,(H,10,11); CYCKHTAVNBPQDB-UHFFFAOYSA-N |
S=C1NC(=CS1)c2ccccc2; S=C1NC(=CS1)c1cccc c1; c1ccc(cc1)C2=CSC(=S)N2 |
4-phenyl-1,3-thiazole-2(3H)-thione |
| 47860 |  Y3F CHEMBL6007208 |
2 | C27 H25 N5 O3 | InChI=1S/C27H25N5O3/c1-35 -25-10-17(8-15-4-2-3-5-18 (15)25)27(34)32-13-21-19- 11-31(12-20(19)22(21)14-3 2)26(33)16-6-7-23-24(9-16 )29-30-28-23/h2-10,19-22H ,11-14H2,1H3,(H,28,29,30) /t19-,20+,21+,22-; CJZJFGVPYXRIEF-ZDNVTZCJSA-N |
COc1cc(cc2ccccc12)C(=O)N3C[CH]4[CH]5CN(C [CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6; COc1 cc(cc2ccccc21)C(=O)N1CC2C(C1)C1CN(CC21)C (=O)c1cc2nn[NH]c2cc1; COc1cc(cc2c1cccc2) C(=O)N3C[C@H]4[C@@H]5CN(C[C@@H]5[C@H]4C3 )C(=O)c6ccc7c(c6)nn[nH]7; COc1cc(cc2c1cc cc2)C(=O)N3CC4C5CN(CC5C4C3)C(=O)c6ccc7c( c6)nn[nH]7; COc1cc(cc2ccccc12)C(=O)N3C[C @H]4[C@@H]5CN(C[C@@H]5[C@H]4C3)C(=O)c6cc c7[nH]nnc7c6 |
[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone |
| 47861 |  Y3G CHEMBL355200 DB03516 ZINC000000005467 |
12 | C6 H4 N2 O2 | InChI=1S/C6H4N2O2/c1-2-4- 3-7-6(10)8-5(4)9/h1,3H,(H 2,7,8,9,10); JOZGNYDSEBIJDH-UHFFFAOYSA-N |
C#CC=1C(NC(NC=1)=O)=O; C#CC1=CNC(=O)NC1= O; O=C1NC=C(C#C)C(=O)N1 |
5-ethynylpyrimidine-2,4(1H,3H)-dione |
| 47862 |  Y3H |
1 | C16 H22 O5 | InChI=1S/C16H22O5/c1-6-9- 20-14(19)16(5)8-7-12(17)1 1(10-16)13(18)21-15(2,3)4 /h1,11H,7-10H2,2-5H3/t11- ,16-/m0/s1; VWWMPCGCVQSEOW-ZBEGNZNMSA-N |
C[C@@]1(CCC(=O)[C@H](C1)C(=O)OC(C)(C)C)C (=O)OCC#C; CC1(CCC(=O)C(C1)C(=O)OC(C)(C) C)C(=O)OCC#C; CC(C)(C)OC(=O)[CH]1C[C](C) (CCC1=O)C(=O)OCC#C; CC(C)(C)OC(=O)[C@H]1 C[C@](C)(CCC1=O)C(=O)OCC#C |
~{O}3-~{tert}-butyl ~{O}1-prop-2-ynyl (1~{S},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate |
| 47863 |  Y3I CHEMBL5423993 |
7 | C19 H19 Cl N6 | InChI=1S/C19H19ClN6/c1-11 -5-14(22)9-26(8-11)19-16- 15(13-4-2-3-12(6-13)7-21) 17(20)25-18(16)23-10-24-1 9/h2-4,6,10-11,14H,5,8-9, 22H2,1H3,(H,23,24,25)/t11 -,14+/m0/s1; BSBZFPBEYMSVPJ-SMDDNHRTSA-N |
CC1CC(CN(C1)c2c3c(c([nH]c3ncn2)Cl)c4cccc (c4)C#N)N; N#Cc1cccc(c1)c1c2c(ncnc2[NH]c 1Cl)N1CC(C)CC(N)C1; C[C@H]1C[C@H](CN(C1) c2c3c(c([nH]c3ncn2)Cl)c4cccc(c4)C#N)N; C [CH]1C[CH](N)CN(C1)c2ncnc3[nH]c(Cl)c(c4c ccc(c4)C#N)c23; C[C@H]1C[C@@H](N)CN(C1)c 2ncnc3[nH]c(Cl)c(c4cccc(c4)C#N)c23 |
(3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile |
| 47864 |  Y3J ZINC000078038700 |
6 | C10 H11 F2 N5 O3 | InChI=1S/C10H11F2N5O3/c11 -7(12)6-4(18)5(19)10(20-6 )17-2-16-3-8(13)14-1-15-9 (3)17/h1-2,4-7,10,18-19H, (H2,13,14,15)/t4-,5-,6-,1 0+/m0/s1; YQLJSFYLQCBEKY-AVGUDYQDSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(F)F)O)O)N ; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](C(F)F)[C @@H](O)[C@@H]3O; c1nc(c2c(n1)n(cn2)[C@H] 3C([C@@H]([C@H](O3)C(F)F)O)O)N; Nc1ncnc2 n(cnc12)[CH]3O[CH](C(F)F)[CH](O)[CH]3O |
5,5-DIFLUOROMETHYL ADENOSINE |
| 47865 |  Y3K |
1 | C32 H39 N5 O5 | InChI=1S/C32H39N5O5/c1-35 -28-15-22(4-5-26(28)34-32 (35)40)30(38)37-17-23-6-1 0-36(11-7-24(23)18-37)31( 39)25-14-27(21-2-3-21)33- 29(16-25)42-19-20-8-12-41 -13-9-20/h4-5,14-16,20-21 ,23-24H,2-3,6-13,17-19H2, 1H3,(H,34,40); USOBLGWPXWJKIW-UHFFFAOYSA-N |
CN1c2cc(ccc2NC1=O)C(=O)N3CC4CCN(CCC4C3)C (=O)c5cc(nc(c5)OCC6CCOCC6)C7CC7; O=C1Nc2 ccc(cc2N1C)C(=O)N1CC2CCN(CCC2C1)C(=O)c1c c(OCC2CCOCC2)nc(c1)C1CC1; CN1c2cc(ccc2NC 1=O)C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)c5 cc(nc(c5)OCC6CCOCC6)C7CC7; CN1C(=O)Nc2cc c(cc12)C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O )c5cc(OCC6CCOCC6)nc(c5)C7CC7; CN1C(=O)Nc 2ccc(cc12)C(=O)N3C[CH]4CCN(CC[CH]4C3)C(= O)c5cc(OCC6CCOCC6)nc(c5)C7CC7 |
6-[(3aR,8aS)-6-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carbonyl]-1-methyl-1,3-dihydro-2H-benzimidazol-2-one |
| 47866 |  Y3L CHEMBL4556783 ZINC000000568692 |
4 | C9 H7 Cl N2 O S | InChI=1S/C9H7ClN2OS/c1-5( 13)11-9-12-7-3-2-6(10)4-8 (7)14-9/h2-4H,1H3,(H,11,1 2,13); BCQXILHHRAEBLY-UHFFFAOYSA-N |
CC(=O)Nc1nc2ccc(cc2s1)Cl; CC(=O)Nc1sc2cc (Cl)ccc2n1 |
N-(5-CHLORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE |
| 47867 |  Y3M ZINC000263620901 |
1 | C25 H22 N4 O4 S | InChI=1S/C25H22N4O4S/c1-2 -32-24(31)23-22-13(12-26- 23)20(21-16(27-22)8-5-9-1 7(21)30)18-10-11-19(33-18 )34-25-28-14-6-3-4-7-15(1 4)29-25/h3-4,6-7,10-12,20 ,26,30H,2,5,8-9H2,1H3,(H, 28,29)/t20-/m1/s1; POXQKNUAFHJFKI-HXUWFJFHSA-N |
CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(CCCC3=N 2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5; CCOC(=O) c1[nH]cc2[CH](c3oc(Sc4[nH]c5ccccc5n4)cc3 )C6=C(O)CCCC6=Nc12; CCOC(=O)c1c2c(c[nH]1 )C(C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccc cc6n5; CCOC(=O)c1[nH]cc2[C@H](c3oc(Sc4[n H]c5ccccc5n4)cc3)C6=C(O)CCCC6=Nc12; O=C( OCC)c6c5N=C1C(=C(O)CCC1)C(c4oc(Sc2nc3c(n 2)cccc3)cc4)c5cn6 |
ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate |
| 47868 |  Y3N ZINC000000128849 |
1 | C10 H7 F3 N2 O | InChI=1S/C10H7F3N2O/c1-6( 16)15-9-3-2-7(5-14)4-8(9) 10(11,12)13/h2-4H,1H3,(H, 15,16); OBFBGHKUUCGSPC-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1C(F)(F)F)C#N; O=C(C)Nc1c cc(cc1C(F)(F)F)C#N |
N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide |
| 47869 |  Y3O CHEMBL5424617 |
5 | C19 H19 Cl N6 | InChI=1S/C19H19ClN6/c1-11 -5-6-14(22)9-26(11)19-16- 15(13-4-2-3-12(7-13)8-21) 17(20)25-18(16)23-10-24-1 9/h2-4,7,10-11,14H,5-6,9, 22H2,1H3,(H,23,24,25)/t11 -,14+/m0/s1; IWFMUUASEIUTAN-SMDDNHRTSA-N |
CC1CCC(CN1c2c3c(c([nH]c3ncn2)Cl)c4cccc(c 4)C#N)N; C[CH]1CC[CH](N)CN1c2ncnc3[nH]c( Cl)c(c4cccc(c4)C#N)c23; C[C@H]1CC[C@H](C N1c2c3c(c([nH]c3ncn2)Cl)c4cccc(c4)C#N)N; C[C@H]1CC[C@@H](N)CN1c2ncnc3[nH]c(Cl)c( c4cccc(c4)C#N)c23; N#Cc1cccc(c1)c1c2c(nc nc2[NH]c1Cl)N1CC(N)CCC1C |
(3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile |
| 47870 |  Y3P ZINC000100066920 |
7 | C4 H4 O5 | InChI=1S/C4H4O5/c5-2(4(8) 9)1-3(6)7/h1,5H,(H,6,7)(H ,8,9)/b2-1-; UWYVPFMHMJIBHE-UPHRSURJSA-N |
OC(=O)/C=C(O)/C(O)=O; OC(=O)C=C(O)C(O)=O ; C(=C(/C(=O)O)\O)\C(=O)O; C(=C(C(=O)O)O )C(=O)O |
(~{Z})-2-oxidanylbut-2-enedioic acid |
| 47871 |  Y3Q CHEMBL5992613 |
1 | C15 H17 Cl N2 O2 | InChI=1S/C15H17ClN2O2/c1- 9(2)12-7-13(16)10(3)6-14( 12)20-8-11-4-5-15(19)18-1 7-11/h4-7,9H,8H2,1-3H3,(H ,18,19); AZYUESWVZZCXHD-UHFFFAOYSA-N |
Cc1cc(c(cc1Cl)C(C)C)OCC2=NNC(=O)C=C2; CC (C)c1cc(Cl)c(C)cc1OCC2=NNC(=O)C=C2; CC(C )c1cc(Cl)c(C)cc1OCC=1C=CC(=O)NN=1 |
6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one |
| 47872 |  Y3R |
4 | C28 H31 N3 O5 S | InChI=1S/C28H31N3O5S/c1-3 -36-27(34)14-13-26(33)31- 30-25(32)12-11-20-7-4-5-1 0-24(20)28(35)29-19(2)21- 8-6-9-22(17-21)23-15-16-3 7-18-23/h4-10,15-19H,3,11 -14H2,1-2H3,(H,29,35)(H,3 0,32)(H,31,33); VCEOCCSGIGLDNU-UHFFFAOYSA-N |
CCOC(=O)CCC(=O)NNC(=O)CCc1ccccc1C(=O)N[C @H](C)c2cccc(c2)c3cscc3; CCOC(=O)CCC(=O) NNC(=O)CCc1ccccc1C(=O)NC(C)c2cccc(c2)c3c csc3; CCOC(=O)CCC(=O)NNC(=O)CCc1ccccc1C( =O)N[CH](C)c2cccc(c2)c3cscc3; O=C(OCC)CC C(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc(c 1)c1ccsc1; CCOC(=O)CCC(=O)NNC(=O)CCc1ccc cc1C(=O)N[C@H](C)c2cccc(c2)c3ccsc3 |
ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate |
| 47873 |  Y3S |
1 | C18 H20 F N3 O3 S | InChI=1S/C18H20FN3O3S/c1- 12-11-21(17(23)16-15(19)7 -10-26-16)8-9-22(12)18(24 )20-13-3-5-14(25-2)6-4-13 /h3-7,10,12H,8-9,11H2,1-2 H3,(H,20,24)/t12-/m1/s1; IFZPOZKASMLFRK-GFCCVEGCSA-N |
CC1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3c(cc s3)F; COc1ccc(NC(=O)N2CCN(C[CH]2C)C(=O)c 3sccc3F)cc1; C[C@@H]1CN(CCN1C(=O)Nc2ccc( cc2)OC)C(=O)c3c(ccs3)F; COc1ccc(NC(=O)N2 CCN(C[C@H]2C)C(=O)c3sccc3F)cc1 |
(2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide |
| 47874 |  Y3T |
4 | C20 H23 Cl F N3 O3 | InChI=1S/C20H23ClFN3O3/c1 -25(2)10-4-5-19(26)24-17- 11-13(6-9-18(17)28-3)20(2 7)23-14-7-8-16(22)15(21)1 2-14/h6-9,11-12H,4-5,10H2 ,1-3H3,(H,23,27)(H,24,26); VFCRGORDSAIMRG-UHFFFAOYSA-N |
Fc1ccc(NC(=O)c2ccc(OC)c(NC(=O)CCCN(C)C)c 2)cc1Cl; CN(C)CCCC(=O)Nc1cc(ccc1OC)C(=O) Nc2ccc(c(c2)Cl)F; COc1ccc(cc1NC(=O)CCCN( C)C)C(=O)Nc2ccc(F)c(Cl)c2 |
N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide |
| 47875 |  Y3U CHEMBL4518549 |
2 | C19 H24 N4 O10 S | InChI=1S/C19H24N4O10S/c1- 22-14(25)6-7-23(19(22)29) 18-16(27)15(26)13(33-18)9 -32-34(30,31)21-17(28)12( 20)8-10-2-4-11(24)5-3-10/ h2-7,12-13,15-16,18,24,26 -27H,8-9,20H2,1H3,(H,21,2 8)/t12-,13+,15+,16+,18+/m 0/s1; JZICRHJSYJTEMP-IQNGCQKYSA-N |
CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O) NC(=O)C(Cc3ccc(cc3)O)N)O)O; CN1C(=O)C=CN (C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(= O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O; CN 1C(=O)C=CN([C@@H]2O[C@H](CO[S](=O)(=O)NC (=O)[C@@H](N)Cc3ccc(O)cc3)[C@@H](O)[C@H] 2O)C1=O; CN1C(=O)C=CN([CH]2O[CH](CO[S](= O)(=O)NC(=O)[CH](N)Cc3ccc(O)cc3)[CH](O)[ CH]2O)C1=O |
[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate |
| 47876 |  Y3V |
1 | C16 H24 N4 O2 | InChI=1S/C16H24N4O2/c1-12 -11-19(15(21)14-4-3-7-18( 14)2)8-9-20(12)16(22)17-1 0-13-5-6-13/h3-4,7,12-13H ,5-6,8-11H2,1-2H3,(H,17,2 2)/t12-/m0/s1; XDZATLOJFOESFE-LBPRGKRZSA-N |
C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3 C; N3(C(=O)c1cccn1C)CCN(C(=O)NCC2CC2)C(C )C3; CC1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3 C; C[CH]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn 3C |
(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide |
| 47877 |  Y3W |
1 | C18 H28 O3 | InChI=1S/C18H28O3/c1-12-1 0-13(2)15(14(19)11-12)18( 6,7)8-9-21-16(20)17(3,4)5 /h10-11,19H,8-9H2,1-7H3; XFXNKKKDMPDWOX-UHFFFAOYSA-N |
Cc1cc(c(c(c1)O)C(C)(C)CCOC(=O)C(C)(C)C)C ; Oc1cc(C)cc(C)c1C(C)(C)CCOC(=O)C(C)(C)C ; Cc1cc(C)c(c(O)c1)C(C)(C)CCOC(=O)C(C)(C )C |
3-(2-hydroxy-4,6-dimethylphenyl)-3-methylbutyl 2,2-dimethylpropanoate |
| 47878 |  Y3Y |
1 | C14 H21 N3 O3 S | InChI=1S/C14H21N3O3S/c1-1 1-10-16(13(18)12-4-3-9-21 -12)6-7-17(11)14(19)15-5- 8-20-2/h3-4,9,11H,5-8,10H 2,1-2H3,(H,15,19)/t11-/m1 /s1; PMIQPYIXNLYXTF-LLVKDONJSA-N |
C[C@@H]1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2; COCCNC(=O)N1CCN(C[C@H]1C)C(=O)c2sccc2; C C1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2; COCCNC (=O)N1CCN(C[CH]1C)C(=O)c2sccc2 |
(2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide |
| 47879 |  Y3Z CHEMBL5415181 |
16 | C26 H21 N O10 S2 | InChI=1S/C26H21NO10S2/c28 -20-6-5-16(9-21(20)29)38( 34,35)15-3-1-14(2-4-15)7- 8-27-19-12-24(32)22(30)10 -17(19)18-11-23(31)25(33) 13-26(18)39(27,36)37/h1-6 ,9-13,28-33H,7-8H2; FDEWFIPCMCTXMT-UHFFFAOYSA-N |
Oc1ccc(cc1O)[S](=O)(=O)c2ccc(CCN3c4cc(O) c(O)cc4c5cc(O)c(O)cc5[S]3(=O)=O)cc2; c1c c(ccc1CCN2c3cc(c(cc3-c4cc(c(cc4S2(=O)=O) O)O)O)O)S(=O)(=O)c5ccc(c(c5)O)O; Oc1cc(c cc1O)S(=O)(=O)c1ccc(cc1)CCN1c2cc(O)c(O)c c2c2cc(O)c(O)cc2S1(=O)=O |
(10aM)-6-{2-[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]ethyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione |
| 47880 |  Y40 CHEMBL5825313 |
1 | C28 H28 N6 O4 | InChI=1S/C28H28N6O4/c1-37 -8-9-38-26-11-25(29-22-5- 3-2-4-17(22)26)28(36)34-1 4-20-18-12-33(13-19(18)21 (20)15-34)27(35)16-6-7-23 -24(10-16)31-32-30-23/h2- 7,10-11,18-21H,8-9,12-15H 2,1H3,(H,30,31,32); VIHUOEBIQGAKKA-UHFFFAOYSA-N |
COCCOc1cc(nc2c1cccc2)C(=O)N3CC4C5CN(CC5C 4C3)C(=O)c6ccc7c(c6)nn[nH]7; COCCOc1cc(n c2c1cccc2)C(=O)N3C[C@H]4[C@@H]5CN(C[C@@H ]5[C@H]4C3)C(=O)c6ccc7c(c6)nn[nH]7; COCC Oc1cc(nc2ccccc12)C(=O)N3C[CH]4[CH]5CN(C[ CH]5[CH]4C3)C(=O)c6ccc7[nH]nnc7c6; COCCO c1cc(nc2ccccc12)C(=O)N1CC2C3CN(CC3C2C1)C (=O)c1cc2nn[NH]c2cc1; COCCOc1cc(nc2ccccc 12)C(=O)N3C[C@@H]4[C@H]5CN(C[C@H]5[C@@H] 4C3)C(=O)c6ccc7[nH]nnc7c6 |
[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][4-(2-methoxyethoxy)quinolin-2-yl]methanone |
| 47881 |  Y41 |
2 | C20 H20 N2 O | InChI=1S/C20H20N2O/c1-13- 16(10-6-12-19(13)21)20(23 )22-14(2)17-11-5-8-15-7-3 -4-9-18(15)17/h3-12,14H,2 1H2,1-2H3,(H,22,23)/t14-/ m1/s1; PZEBTCMUWPLVEX-CQSZACIVSA-N |
C[C@@H](NC(=O)c1cccc(N)c1C)c2cccc3ccccc2 3; Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cc cc3; O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc 3; Cc1c(cccc1N)C(=O)NC(C)c2cccc3c2cccc3; C[CH](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23 |
3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
| 47882 |  Y43 ZINC000008217141 |
54 | C10 H15 N4 O13 P3 | InChI=1S/C10H15N4O13P3/c1 5-5-1-7(14-4-13-8-9(14)11 -3-12-10(8)16)25-6(5)2-24 -29(20,21)27-30(22,23)26- 28(17,18)19/h3-7,15H,1-2H 2,(H,20,21)(H,22,23)(H,11 ,12,16)(H2,17,18,19)/t5-, 6+,7+/m0/s1; UFJPAQSLHAGEBL-RRKCRQDMSA-N |
O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O )O[P](O)(O)=O)n2cnc3C(=O)N=CNc23; O[C@H] 1C[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(=O) O[P](O)(O)=O)n2cnc3C(=O)N=CNc23; c1nc2c( n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O )(O)OP(=O)(O)O)O)NC=NC2=O; c1nc2c(n1C3CC (C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)NC =NC2=O; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1O C(CC1O)n1cnc2c1NC=NC2=O |
2'-deoxyinosine 5'-triphosphate |
| 47883 |  Y44 |
1 | C16 H18 N4 O2 S | InChI=1S/C16H18N4O2S/c21- 15(14-4-2-10-23-14)19-6-8 -20(9-7-19)16(22)18-12-13 -3-1-5-17-11-13/h1-5,10-1 1H,6-9,12H2,(H,18,22); QWTHOPVYVVYMKH-UHFFFAOYSA-N |
O=C(NCc1cccnc1)N2CCN(CC2)C(=O)c3sccc3; N (Cc1cccnc1)C(N3CCN(C(=O)c2cccs2)CC3)=O; c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3 |
N-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
| 47884 |  Y45 ZINC000219964952 |
3 | C12 H23 O14 P | InChI=1S/C12H23O14P/c13-1 -3-5(15)7(17)9(11(19)23-3 )25-27(21,22)26-10-8(18)6 (16)4(2-14)24-12(10)20/h3 -20H,1-2H2,(H,21,22)/t3-, 4-,5-,6-,7+,8+,9-,10-,11+ ,12+/m1/s1; DCDHSOINTWUWCZ-NCFXGAEVSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O P(=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@ H]2O)CO)O)O)O)O)O; OC[CH]1O[CH](O)[CH](O [P](O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[ CH]2O)[CH](O)[CH]1O; C(C1C(C(C(C(O1)O)OP (=O)(O)OC2C(C(C(OC2O)CO)O)O)O)O)O; OC[C@ H]1O[C@H](O)[C@H](O[P](O)(=O)O[C@H]2[C@@ H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]( O)[C@@H]1O |
Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses); Agrocinopine D-like; bis[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate; D-glucose-2-phosphate-2-glucose |
| 47885 |  Y46 ZINC000095920862 |
4 | C17 H16 N4 O4 S | InChI=1S/C17H16N4O4S/c18- 15-14(20-26(24,25)13-9-5- 2-6-10-13)16(22)19-17(23) 21(15)11-12-7-3-1-4-8-12/ h1-10,20H,11,18H2,(H,19,2 2,23); VEUJHCYBBDYKBP-UHFFFAOYSA-N |
c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c 3ccccc3)N; NC1=C(N[S](=O)(=O)c2ccccc2)C( =O)NC(=O)N1Cc3ccccc3; O=S(=O)(c1ccccc1)N C2=C(N)N(C(=O)NC2=O)Cc3ccccc3 |
N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE |
| 47886 |  Y47 |
1 | C17 H20 N4 O3 | InChI=1S/C17H20N4O3/c1-13 -4-5-15(24-13)16(22)20-7- 9-21(10-8-20)17(23)19-12- 14-3-2-6-18-11-14/h2-6,11 H,7-10,12H2,1H3,(H,19,23); HGHNCKMHUMBNIY-UHFFFAOYSA-N |
N1(CCN(CC1)C(NCc2cnccc2)=O)C(c3ccc(C)o3) =O; Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cc cnc3; Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3 cccnc3 |
4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide |
| 47887 |  Y48 |
1 | C21 H28 F3 N3 O8 S | InChI=1S/C21H28F3N3O8S/c1 -10(2)5-16(27-21(31)35-9- 12-6-14(23)15(24)8-13(12) 22)19(29)26-17(20(30)36(3 2,33)34)7-11-3-4-25-18(11 )28/h6,8,10-11,16-17,20,3 0H,3-5,7,9H2,1-2H3,(H,25, 28)(H,26,29)(H,27,31)(H,3 2,33,34)/t11-,16-,17-,20- /m0/s1; UQJSPTNSSUFGMT-IREPMIDKSA-N |
CC(C)C[CH](NC(=O)OCc1cc(F)c(F)cc1F)C(=O) N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O)=O; CC(C)C[C@H](NC(=O)OCc1cc(F)c(F)cc1F)C(= O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)[S](O )(=O)=O; CC(C)CC(NC(=O)OCc1cc(F)c(F)cc1F )C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O; CC(C )C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C @@H](O)S(=O)(=O)O)NC(=O)OCc2cc(c(cc2F)F) F; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)( =O)O)NC(=O)OCc2cc(c(cc2F)F)F |
(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid |
| 47888 |  Y49 CHEMBL5414038 |
1 | C19 H13 N5 O4 | InChI=1S/C19H13N5O4/c20-1 5(25)13-14-17(24(19(28)22 -14)12-4-2-1-3-5-12)23-16 (21-13)10-6-8-11(9-7-10)1 8(26)27/h1-9H,(H2,20,25)( H,22,28)(H,26,27); ZIQWXRLSVVVXBM-UHFFFAOYSA-N |
c1ccc(cc1)N2c3c(c(nc(n3)c4ccc(cc4)C(=O)O )C(=O)N)NC2=O; NC(=O)c1nc(nc2N(C(=O)Nc12 )c3ccccc3)c4ccc(cc4)C(O)=O |
4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid |
| 47889 |  Y4B CHEMBL207538 DB11859 ZINC000004081043 |
24 | C21 H34 O2 | InChI=1S/C21H34O2/c1-13(2 2)17-6-7-18-16-5-4-14-12- 15(23)8-10-20(14,2)19(16) 9-11-21(17,18)3/h14-19,23 H,4-12H2,1-3H3/t14-,15+,1 6-,17+,18-,19-,20-,21+/m0 /s1; AURFZBICLPNKBZ-SYBPFIFISA-N |
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H ]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C; CC(= O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O) CC[C@]4(C)[C@H]3CC[C@]12C; CC(=O)[CH]1CC [CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C C[C]12C; CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C 3CCC12C; CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC (C4)O)C)C |
allopregnanolone; 3beta-hydroxy-5beta,10alpha,14beta,17alpha-pregnan-20-one; Brexanolone |
| 47890 |  Y4C ZINC000019797618 |
1 | C25 H34 N4 O4 S | InChI=1S/C25H34N4O4S/c1-3 -4-5-21-8-10-22(11-9-21)2 7-25(31)24(30)26-14-15-28 -16-18-29(19-17-28)34(32, 33)23-12-6-20(2)7-13-23/h 6-13H,3-5,14-19H2,1-2H3,( H,26,30)(H,27,31); VCWKUFHIPVADCP-UHFFFAOYSA-N |
CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(CC2)[S](=O )(=O)c3ccc(C)cc3)cc1; CCCCc1ccc(cc1)NC(= O)C(=O)NCCN2CCN(CC2)S(=O)(=O)c3ccc(cc3)C ; O=S(=O)(c1ccc(C)cc1)N1CCN(CCNC(=O)C(=O )Nc2ccc(CCCC)cc2)CC1 |
N~1~-(4-butylphenyl)-N~2~-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}ethanediamide |
| 47891 |  Y4D |
2 | C24 H41 N3 O8 S | InChI=1S/C24H41N3O8S/c1-1 4(2)8-19(27-24(31)35-13-1 7-10-15-4-3-5-16(9-15)11- 17)22(29)26-20(23(30)36(3 2,33)34)12-18-6-7-25-21(1 8)28/h14-20,23,30H,3-13H2 ,1-2H3,(H,25,28)(H,26,29) (H,27,31)(H,32,33,34)/t15 -,16+,17-,18-,19-,20-,23+ /m0/s1; PGYROSRJIVXTOE-ZDCSSWJMSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3C CC[C@@H](C3)C2; CC(C)C[C@H](NC(=O)OC[C@H ]1C[C@H]2CCC[C@H](C2)C1)C(=O)N[C@@H](C[C @@H]3CCNC3=O)[C@H](O)[S](O)(=O)=O; CC(C) CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC( =O)OCC2CC3CCCC(C3)C2; CC(C)C[CH](NC(=O)O C[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[C H]3CCNC3=O)[CH](O)[S](O)(=O)=O |
(1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47892 |  Y4E CHEMBL5542695 |
3 | C10 H12 N2 S2 | InChI=1S/C10H12N2S2/c13-5 -10-12-8-4-2-1-3-7(8)11-9 (12)6-14-10/h1-4,9-11,13H ,5-6H2/t9-,10-/m1/s1; PBXWHODMWKJRIF-NXEZZACHSA-N |
c1ccc2c(c1)NC3N2C(SC3)CS; c1ccc2c(c1)N[C @@H]3N2[C@H](SC3)CS; SC[CH]1SC[CH]2Nc3cc ccc3N12; SC[C@H]1SC[C@@H]2Nc3ccccc3N12 |
[(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol |
| 47893 |  Y4F |
27 | C20 H24 N10 O12 P2 | InChI=1S/C20H24N10O12P2/c 21-15-9-17(25-3-23-15)29( 5-27-9)19-12(32)13-8(40-1 9)2-38-44(35,36)42-14-11( 31)7(1-37-43(33,34)41-13) 39-20(14)30-6-28-10-16(22 )24-4-26-18(10)30/h3-8,11 -14,19-20,31-32H,1-2H2,(H ,33,34)(H,35,36)(H2,21,23 ,25)(H2,22,24,26)/t7-,8-, 11-,12-,13-,14-,19-,20-/m 1/s1; UZFVIESUDFOPOB-XPWFQUROSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O [CH]5[CH](O)[CH](CO[P](O)(=O)O[CH]4[CH]3 O)O[CH]5n6cnc7c(N)ncnc67; c1nc(c2c(n1)n( cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4 )O)OC5n6cnc7c6ncnc7N)O)O)O)N; c1nc(c2c(n 1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP( =O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O [C@H]5n6cnc7c6ncnc7N)O)O)O)N; Nc1ncnc2c1 ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2 C1O)C3O)n1cnc2c(N)ncnc21; Nc1ncnc2n(cnc1 2)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@@H]5[C@ H](O)[C@@H](CO[P](O)(=O)O[C@H]4[C@H]3O)O [C@H]5n6cnc7c(N)ncnc67 |
Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate |
| 47894 |  Y4H ZINC000219964997 |
2 | C12 H23 O14 P | InChI=1S/C12H23O14P/c13-1 -3-5(15)7(17)9(11(19)23-3 )25-27(21,22)26-10-8(18)6 (16)4(2-14)24-12(10)20/h3 -20H,1-2H2,(H,21,22)/t3-, 4-,5-,6-,7+,8+,9-,10-,11- ,12+/m1/s1; DCDHSOINTWUWCZ-BTLHAWITSA-N |
OC[C@H]1O[C@H](O)[C@H](O[P](O)(=O)O[C@H] 2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@ @H](O)[C@@H]1O; OC[CH]1O[CH](O)[CH](O[P] (O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[CH] 2O)[CH](O)[CH]1O; C(C1C(C(C(C(O1)O)OP(=O )(O)OC2C(C(C(OC2O)CO)O)O)O)O)O; C([C@@H] 1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O )O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO )O)O)O)O)O |
Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose); Agrocinopine D-like; [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate; D-glucose-2-phosphate-2-glucose |
| 47895 |  Y4I |
1 | C19 H26 N5 O10 P S | InChI=1S/C19H26N5O10PS/c1 -10-5-24(19(30)21-17(10)2 8)15-4-12(26)13(34-15)9-3 2-35(31,36)22-6-11(8-25)3 3-16(7-22)23-3-2-14(27)20 -18(23)29/h2-3,5,11-13,15 -16,25-26H,4,6-9H2,1H3,(H ,31,36)(H,20,27,29)(H,21, 28,30)/t11-,12-,13+,15+,1 6+,35-/m0/s1; JMOYBKKBBMXKAB-OTRGKRLXSA-N |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(N3CC (OC(C3)N4C=CC(=O)NC4=O)CO)O)O; CC1=CN([C H]2C[CH](O)[CH](CO[P](O)(=S)N3C[CH](CO)O [CH](C3)N4C=CC(=O)NC4=O)O2)C(=O)NC1=O; C C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2) CO[P@](=S)(N3C[C@H](O[C@H](C3)N4C=CC(=O) NC4=O)CO)O)O; CC1=CN([C@H]2C[C@H](O)[C@@ H](CO[P@](O)(=S)N3C[C@@H](CO)O[C@H](C3)N 4C=CC(=O)NC4=O)O2)C(=O)NC1=O |
1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione |
| 47896 |  Y4J |
2 | C24 H39 N3 O8 S | InChI=1S/C24H39N3O8S/c1-1 4(2)8-19(27-24(31)35-13-1 7-10-15-4-3-5-16(9-15)11- 17)22(29)26-20(23(30)36(3 2,33)34)12-18-6-7-25-21(1 8)28/h3-4,14-20,23,30H,5- 13H2,1-2H3,(H,25,28)(H,26 ,29)(H,27,31)(H,32,33,34) /t15-,16+,17-,18-,19-,20- ,23+/m0/s1; ZIWRGXZFSGDQST-ZDCSSWJMSA-N |
CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C 1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S] (O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C @@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC [C@@H]2C[C@@H]3CC=C[C@@H](C3)C2; CC(C)C[ C@H](NC(=O)OC[C@@H]1C[C@@H]2CC=C[C@H](C1 )C2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](O )[S](O)(=O)=O; N(C(=O)C(CC(C)C)NC(OCC1CC 2CC(C1)CC=C2)=O)C(CC3C(NCC3)=O)C(O)S(=O) (O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S( =O)(=O)O)NC(=O)OCC2CC3CC=CC(C3)C2 |
(1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47897 |  Y4K |
12 | C15 H18 N4 O4 S | InChI=1S/C15H18N4O4S/c1-1 1(12-5-3-2-4-6-12)10-17-1 8-14-8-7-13(24(16,22)23)9 -15(14)19(20)21/h2-9,11,1 7-18H,10H2,1H3,(H2,16,22, 23)/t11-/m1/s1; NSSXWTMELVHXJK-LLVKDONJSA-N |
CC(CNNc1ccc(cc1N(=O)=O)S(=O)(=O)N)c2cccc c2; C[C@H](CNNc1ccc(cc1N(=O)=O)S(=O)(=O) N)c2ccccc2; C[CH](CNNc1ccc(cc1[N](=O)=O) [S](N)(=O)=O)c2ccccc2; C[C@H](CNNc1ccc(c c1[N](=O)=O)[S](N)(=O)=O)c2ccccc2; O=S(N )(=O)c1cc(c(NNCC(C)c2ccccc2)cc1)N(=O)=O |
3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide |
| 47898 |  Y4L ZINC000005718118 |
1 | C8 H11 Cl N2 O2 S | InChI=1S/C8H11ClN2O2S/c1- 11(2)14(12,13)10-8-5-3-7( 9)4-6-8/h3-6,10H,1-2H3; KDRCAWRLJXSNGE-UHFFFAOYSA-N |
CN(C)S(=O)(=O)Nc1ccc(cc1)Cl; Clc1ccc(NS( =O)(=O)N(C)C)cc1; CN(C)[S](=O)(=O)Nc1ccc (Cl)cc1 |
((4-Chlorophenyl)sulfamoyl))dimethylamine |
| 47899 |  Y4N CHEMBL5839654 |
1 | C25 H28 Cl2 N6 O5 S | InChI=1S/C25H28Cl2N6O5S/c 26-20-5-3-17(12-21(20)27) 14-29-23(34)15-33-16-30-2 2-6-4-18(13-19(22)25(33)3 6)31-7-9-32(10-8-31)24(35 )2-1-11-39(28,37)38/h3-6, 12-13,16H,1-2,7-11,14-15H 2,(H,29,34)(H2,28,37,38); PYOCFAOKLJFTGQ-UHFFFAOYSA-N |
c1cc(c(cc1CNC(=O)CN2C=Nc3ccc(cc3C2=O)N4C CN(CC4)C(=O)CCCS(=O)(=O)N)Cl)Cl; N[S](=O )(=O)CCCC(=O)N1CCN(CC1)c2ccc3N=CN(CC(=O) NCc4ccc(Cl)c(Cl)c4)C(=O)c3c2; O=C(CCCS(N )(=O)=O)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3 ccc(Cl)c(Cl)c3)C=Nc2cc1 |
N-[(3,4-dichlorophenyl)methyl]-2-{4-oxo-6-[4-(4-sulfamoylbutanoyl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide |
| 47900 |  Y4O |
1 | C29 H31 N7 O2 | InChI=1S/C29H31N7O2/c1-20 -17-24(11-12-25(20)34-29- 31-15-13-26(35-29)22-8-5- 14-30-19-22)33-28(38)21-7 -4-9-23(18-21)32-27(37)10 -6-16-36(2)3/h4-5,7-9,11- 15,17-19H,6,10,16H2,1-3H3 ,(H,32,37)(H,33,38)(H,31, 34,35); JCQSXSKNIVAALC-UHFFFAOYSA-N |
CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3n ccc(n3)c4cccnc4)c(C)c2; Cc1cc(ccc1Nc2ncc c(n2)c3cccnc3)NC(=O)c4cccc(c4)NC(=O)CCCN (C)C |
3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide |
| 47901 |  Y4P |
2 | C22 H37 N3 O8 S | InChI=1S/C22H37N3O8S/c1-1 2(2)7-17(25-22(29)33-11-1 6-9-13-3-4-14(16)8-13)20( 27)24-18(21(28)34(30,31)3 2)10-15-5-6-23-19(15)26/h 12-18,21,28H,3-11H2,1-2H3 ,(H,23,26)(H,24,27)(H,25, 29)(H,30,31,32)/t13-,14+, 15-,16+,17-,18-,21+/m0/s1; CDEICDIJDMTLMS-NFFJHMNLSA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O) O)NC(=O)OCC2CC3CCC2C3; CC(C)C[C@@H](C(=O )N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O) NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3; CC(C)C [CH](NC(=O)OC[CH]1C[CH]2CC[CH]1C2)C(=O)N [CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC[C@H]1C[C@H]2CC[C@@H ]1C2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H]( O)[S](O)(=O)=O |
(1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47902 |  Y4Q |
4 | C14 H15 N5 O3 | InChI=1S/C14H15N5O3/c1-10 -9-13(20)17-14(16-10)18-1 5-8-4-6-11-5-2-3-7-12(11) 19(21)22/h2-5,7-8,15H,6,9 H2,1H3,(H,17,18,20)/b8-4+; RQPQHPRGYAGHMJ-XBXARRHUSA-N |
CC1=NC(NN\C=C\Cc2ccccc2N(=O)=O)=NC(=O)C1 ; CC1=NC(=NC(=O)C1)NNC=CCc2ccccc2[N](=O) =O; CC1=NC(=NC(=O)C1)NN/C=C/Cc2ccccc2N(= O)=O; CC1=NC(=NC(=O)C1)NNC=CCc2ccccc2N(= O)=O; CC1=NC(=NC(=O)C1)NN\C=C\Cc2ccccc2[ N](=O)=O |
6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one |
| 47903 |  Y4R |
1 | C21 H24 N4 O2 | InChI=1S/C21H24N4O2/c1-14 -9-18(16(21(2,3)4)10-15(1 4)11-22)26-13-19-24-17(12 -23)20(27-19)25-7-5-6-8-2 5/h9-10H,5-8,13H2,1-4H3; GBMGUCHLAAQNIR-UHFFFAOYSA-N |
Cc1cc(OCc2oc(N3CCCC3)c(n2)C#N)c(cc1C#N)C (C)(C)C; CC(C)(C)c1cc(C#N)c(C)cc1OCc1nc( C#N)c(o1)N1CCCC1; Cc1cc(c(cc1C#N)C(C)(C) C)OCc2nc(c(o2)N3CCCC3)C#N |
2-[(2-tert-butyl-4-cyano-5-methylphenoxy)methyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile |
| 47904 |  Y4T CHEMBL16901 DB19283 ZINC000000001536 |
3 | C18 H18 O2 | InChI=1S/C18H18O2/c1-3-5- 13-7-9-18(20)16(11-13)14- 8-10-17(19)15(12-14)6-4-2 /h3-4,7-12,19-20H,1-2,5-6 H2; FVYXIJYOAGAUQK-UHFFFAOYSA-N |
Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O; Oc1ccc(c c1CC=C)c1cc(CC=C)ccc1O; C=CCc1ccc(c(c1)c 2ccc(c(c2)CC=C)O)O |
(1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol; Honokiol |
| 47905 |  Y4U CHEMBL1442910 ZINC000000092461 |
4 | C12 H11 N O3 S | InChI=1S/C12H11NO3S/c1-10 (14)11-7-8-13(9-11)17(15, 16)12-5-3-2-4-6-12/h2-9H, 1H3; HTMLKRFQINMFRA-UHFFFAOYSA-N |
O=C(C)c1ccn(c1)S(=O)(=O)c1ccccc1; CC(=O) c1ccn(c1)S(=O)(=O)c2ccccc2; CC(=O)c1ccn( c1)[S](=O)(=O)c2ccccc2 |
1-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one |
| 47906 |  Y4V |
2 | C25 H41 N3 O8 S | InChI=1S/C25H41N3O8S/c1-1 4(2)5-19(22(30)27-20(23(3 1)37(33,34)35)9-18-3-4-26 -21(18)29)28-24(32)36-13- 25-10-15-6-16(11-25)8-17( 7-15)12-25/h14-20,23,31H, 3-13H2,1-2H3,(H,26,29)(H, 27,30)(H,28,32)(H,33,34,3 5)/t15-,16+,17-,18-,19-,2 0-,23+,25-/m0/s1; AFONNBAHWVWJGI-CLEZYGTASA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O) O)NC(=O)OCC23CC4CC(C2)CC(C4)C3; CC(C)C[C @H](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C(=O)N[ C@@H](C[C@@H]4CCNC4=O)[C@H](O)[S](O)(=O) =O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC NC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC23CC4C C(C2)CC(C4)C3; C(NC(C(NC(CC1C(=O)NCC1)CO )=O)CC(C)C)(=O)OCC24CC3CC(CC(C2)C3)C4; C C(C)C[CH](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C (=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O )=O |
(1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47907 |  Y4W |
1 | C25 H25 F2 N7 O4 S | InChI=1S/C25H25F2N7O4S/c1 -32-22-21(34(25(32)36)14- 15-2-7-19(26)20(27)12-15) 13-29-24(31-22)30-17-5-3- 16(4-6-17)23(35)33-10-8-1 8(9-11-33)39(28,37)38/h2- 7,12-13,18H,8-11,14H2,1H3 ,(H2,28,37,38)(H,29,30,31 ); IBSMVQZPUVXXRF-UHFFFAOYSA-N |
CN1C(=O)N(Cc2ccc(F)c(F)c2)c3cnc(Nc4ccc(c c4)C(=O)N5CCC(CC5)[S](N)(=O)=O)nc13; NS( =O)(=O)C1CCN(CC1)C(=O)c1ccc(cc1)Nc1ncc2c (n1)N(C)C(=O)N2Cc1ccc(F)c(F)c1; CN1c2c(c nc(n2)Nc3ccc(cc3)C(=O)N4CCC(CC4)S(=O)(=O )N)N(C1=O)Cc5ccc(c(c5)F)F |
1-[4-({7-[(3,4-difluorophenyl)methyl]-9-methyl-8-oxo-8,9-dihydro-7H-purin-2-yl}amino)benzoyl]piperidine-4-sulfonamide |
| 47908 |  Y4X |
1 | C27 H22 F2 N4 O3 S | InChI=1S/C27H22F2N4O3S/c1 -33(19-2-5-25-23(11-19)31 -14-37-25)27(36)24(8-15-6 -17(28)10-18(29)7-15)32-2 6(35)9-16-13-30-22-4-3-20 (34)12-21(16)22/h2-7,10-1 4,24,30,34H,8-9H2,1H3,(H, 32,35)/t24-/m1/s1; ZEQNNGUVENPVCM-XMMPIXPASA-N |
Oc1ccc2[NH]cc(CC(=O)NC(Cc3cc(F)cc(F)c3)C (=O)N(C)c3cc4ncsc4cc3)c2c1; CN(c1ccc2c(c 1)ncs2)C(=O)[C@H](Cc3cc(cc(c3)F)F)NC(=O) Cc4c[nH]c5c4cc(cc5)O; CN(C(=O)[C@H](Cc1c c(F)cc(F)c1)NC(=O)Cc2c[nH]c3ccc(O)cc23)c 4ccc5scnc5c4; CN(c1ccc2c(c1)ncs2)C(=O)C( Cc3cc(cc(c3)F)F)NC(=O)Cc4c[nH]c5c4cc(cc5 )O; CN(C(=O)[CH](Cc1cc(F)cc(F)c1)NC(=O)C c2c[nH]c3ccc(O)cc23)c4ccc5scnc5c4 |
N-(1,3-benzothiazol-5-yl)-3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide |
| 47909 |  Y4Y |
8 | C9 H8 N4 O4 | InChI=1S/C9H8N4O4/c10-3-4 -1-5-6(2-7(4)13(16)17)12- 9(15)8(14)11-5/h1-2H,3,10 H2,(H,11,14)(H,12,15); DWQWOEGFPYFGFJ-UHFFFAOYSA-N |
c1c(c(cc2c1NC(=O)C(=O)N2)N(=O)=O)CN; NCc 1cc2NC(=O)C(=O)Nc2cc1[N](=O)=O; O=N(=O)c 1cc2NC(=O)C(=O)Nc2cc1CN |
6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione |
| 47910 |  Y4Z |
1 | C21 H20 F3 N3 O2 | InChI=1S/C21H20F3N3O2/c22 -21(23,24)29-15-6-3-5-14( 11-15)12-27-18-9-2-1-7-16 (18)17-8-4-10-26(20(25)28 )13-19(17)27/h1-3,5-7,9,1 1H,4,8,10,12-13H2,(H2,25, 28); CYKHJFXCGBYAND-UHFFFAOYSA-N |
FC(F)(F)Oc1cccc(c1)Cn1c2ccccc2c2CCCN(Cc1 2)C(N)=O; NC(=O)N1CCCc2c(C1)n(Cc3cccc(OC (F)(F)F)c3)c4ccccc24; c1ccc2c(c1)c3c(n2C c4cccc(c4)OC(F)(F)F)CN(CCC3)C(=O)N |
10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide |
| 47911 |  Y50 CHEMBL3338195 ZINC000205663719 |
4 | C22 H23 N O4 | InChI=1S/C22H23NO4/c1-22( 2)12-11-16-19(25-3)10-7-1 5(21(16)27-22)18(24)8-5-1 4-6-9-20(26-4)17(23)13-14 /h5-13H,23H2,1-4H3/b8-5+; IUIOXMRMRADSKI-VMPITWQZSA-N |
COc1ccc(/C=C/C(=O)c2ccc(OC)c3C=CC(C)(C)O c23)cc1N; CC1(C=Cc2c(ccc(c2O1)C(=O)C=Cc3 ccc(c(c3)N)OC)OC)C; COc1ccc(C=CC(=O)c2cc c(OC)c3C=CC(C)(C)Oc23)cc1N; CC1(C=Cc2c(c cc(c2O1)C(=O)/C=C/c3ccc(c(c3)N)OC)OC)C |
E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one |
| 47912 |  Y51 |
2 | C22 H35 N3 O8 S | InChI=1S/C22H35N3O8S/c1-1 2(2)7-17(25-22(29)33-11-1 6-9-13-3-4-14(16)8-13)20( 27)24-18(21(28)34(30,31)3 2)10-15-5-6-23-19(15)26/h 3-4,12-18,21,28H,5-11H2,1 -2H3,(H,23,26)(H,24,27)(H ,25,29)(H,30,31,32)/t13-, 14+,15-,16+,17-,18-,21+/m 0/s1; WZJYVJHLXCYWFV-NFFJHMNLSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C [C@H]2C=C3; CC(C)C[CH](NC(=O)OC[CH]1C[CH ]2C[CH]1C=C2)C(=O)N[CH](C[CH]3CCNC3=O)[C H](O)[S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC[ C@H]1C[C@@H]2C[C@H]1C=C2)C(=O)N[C@@H](C[ C@@H]3CCNC3=O)[C@H](O)[S](O)(=O)=O; CC(C )CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC (=O)OCC2CC3CC2C=C3 |
(1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47913 |  Y52 ZINC000116142445 |
2 | C20 H19 N O4 S2 | InChI=1S/C20H19NO4S2/c1-2 3-11-16(19(22)25-3)15-7-5 -4-6-13(15)12-26-20-21-17 -10-14(24-2)8-9-18(17)27- 20/h4-11H,12H2,1-3H3/b16- 11+; OMGAIUZPUSZZME-LFIBNONCSA-N |
COC=C(c1ccccc1CSc2nc3cc(ccc3s2)OC)C(=O)O C; CO/C=C(\c1ccccc1CSc2nc3cc(ccc3s2)OC)/ C(=O)OC; COC=C(C(=O)OC)c1ccccc1CSc2sc3cc c(OC)cc3n2; O=C(OC)\C(=C\OC)c1ccccc1CSc2 nc3cc(OC)ccc3s2; CO/C=C(/C(=O)OC)c1ccccc 1CSc2sc3ccc(OC)cc3n2 |
methyl (2E)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate |
| 47914 |  Y53 CHEMBL4290141 DB14918 ZINC000146605125 |
0 | C22 H27 N5 O2 | InChI=1S/C22H27N5O2/c1-21 (2)10-16(11-22(3,4)27-21) 29-20-8-7-18(25-26-20)17- 6-5-14(9-19(17)28)15-12-2 3-24-13-15/h5-9,12-13,16, 27-28H,10-11H2,1-4H3,(H,2 3,24); STWTUEAWRAIWJG-UHFFFAOYSA-N |
CC1(CC(CC(N1)(C)C)Oc2ccc(nn2)c3ccc(cc3O) c4c[nH]nc4)C; CC1(C)CC(CC(C)(C)N1)Oc2ccc (nn2)c3ccc(cc3O)c4c[nH]nc4 |
Branaplam; 5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol |
| 47915 |  Y54 CHEMBL5085054 |
2 | C29 H36 N4 O2 S | InChI=1S/C29H36N4O2S/c1-1 8-6-7-23(33-24-15-30-16-2 4)14-27(18)29(35)32-19(2) 20-4-3-5-21(12-20)28-11-1 0-26(36-28)17-31-22-8-9-2 5(34)13-22/h3-7,10-12,14, 19,22,24-25,30-31,33-34H, 8-9,13,15-17H2,1-2H3,(H,3 2,35)/t19-,22-,25+/m1/s1; IGVYCVBUHQMNRZ-QNIAMRLHSA-N |
Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc( s3)CN[C@@H]4CC[C@@H](C4)O)NC5CNC5; Cc1cc c(cc1C(=O)NC(C)c2cccc(c2)c3ccc(s3)CNC4CC C(C4)O)NC5CNC5; C[CH](NC(=O)c1cc(NC2CNC2 )ccc1C)c3cccc(c3)c4sc(CN[CH]5CC[CH](O)C5 )cc4; C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c 3cccc(c3)c4sc(CN[C@@H]5CC[C@H](O)C5)cc4; CC(NC(c1cc(ccc1C)NC2CNC2)=O)c3cc(ccc3)c 4sc(cc4)CNC5CCC(O)C5 |
5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide |
| 47916 |  Y55 CHEMBL1928097 ZINC000073198131 |
2 | C13 H9 N O4 | InChI=1S/C13H9NO4/c15-12- 7-8-3-4-9(11-2-1-5-18-11) 6-10(8)13(16)14(12)17/h1- 6,17H,7H2; FMBJYDTZYGCAIN-UHFFFAOYSA-N |
N1(O)C(=O)c3c(CC1=O)ccc(c2occc2)c3; c1cc (oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O; ON1C(= O)Cc2ccc(cc2C1=O)c3occc3 |
7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione |
| 47917 |  Y56 CHEMBL5415114 |
1 | C34 H36 N8 O2 | InChI=1S/C34H36N8O2/c1-40 (2)20-8-12-30(43)36-26-15 -13-25(14-16-26)33(44)41- 22-18-27(23-41)37-34-35-1 9-17-28(38-34)31-29-11-6- 7-21-42(29)39-32(31)24-9- 4-3-5-10-24/h3-7,9-11,13- 17,19,21,27H,8,12,18,20,2 2-23H2,1-2H3,(H,36,43)(H, 35,37,38)/t27-/m0/s1; HDSKLOGUAXMLMX-MHZLTWQESA-N |
CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC(C2)Nc 3nccc(n3)c4c5ccccn5nc4c6ccccc6; CN(C)CCC C(=O)Nc1ccc(cc1)C(=O)N2CC[C@@H](C2)Nc3nc cc(n3)c4c5ccccn5nc4c6ccccc6; CN(C)CCCC(= O)Nc1ccc(cc1)C(=O)N2CC[CH](C2)Nc3nccc(n3 )c4c5ccccn5nc4c6ccccc6; CN(C)CCCC(=O)Nc1 ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccc cn2nc1c1ccccc1 |
4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide |
| 47918 |  Y57 |
0 | C17 H28 N2 O2 | InChI=1S/C17H28N2O2/c1-14 (2)19(12-7-6-10-16(18)17( 20)21)13-11-15-8-4-3-5-9- 15/h3-5,8-9,14,16H,6-7,10 -13,18H2,1-2H3,(H,20,21)/ t16-/m0/s1; XGCVHMMQJAIVRH-INIZCTEOSA-N |
CC(C)N(CCCC[C@H](N)C(O)=O)CCc1ccccc1; CC (C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1; C(C )(C)N(CCCCC(N)C(=O)O)CCc1ccccc1; CC(C)N( CCCCC(C(=O)O)N)CCc1ccccc1; CC(C)N(CCCC[C H](N)C(O)=O)CCc1ccccc1 |
N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine |
| 47919 |  Y58 CHEMBL5418180 |
1 | C20 H27 N3 O9 S2 | InChI=1S/C20H27N3O9S2/c24 -7-10-14(26)13(23-6-12(21 -22-23)33-9-4-2-1-3-5-9)1 6(28)19(31-10)34-20-18(30 )17(29)15(27)11(8-25)32-2 0/h1-6,10-11,13-20,24-30H ,7-8H2/t10-,11-,13+,14+,1 5-,16-,17+,18-,19+,20+/m1 /s1; ROQDROPGJRNKKP-VTOAZQAJSA-N |
OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]( [CH]2O)n3cc(Sc4ccccc4)nn3)[CH](O)[CH](O) [CH]1O; c1ccc(cc1)Sc2cn(nn2)[C@H]3[C@H]( [C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H ]([C@@H]([C@H](O4)CO)O)O)O)CO)O; c1ccc(c c1)Sc2cn(nn2)C3C(C(OC(C3O)SC4C(C(C(C(O4) CO)O)O)O)CO)O; OC[C@H]1O[C@@H](S[C@@H]2O [C@H](CO)[C@H](O)[C@@H]([C@H]2O)n3cc(Sc4 ccccc4)nn3)[C@H](O)[C@@H](O)[C@@H]1O |
(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol |
| 47920 |  Y59 |
0 | C22 H24 N7 O | InChI=1S/C22H24N7O/c1-14- 9-18(26-29-11-15(2)24-21( 14)29)17-10-20(30)28-12-1 6(3-4-19(28)25-17)27-8-7- 23-22(13-27)5-6-22/h3-4,9 -12,23H,5-8,13H2,1-2H3,(H ,25,30); WUBACWPUEMOWBL-UHFFFAOYSA-N |
Cc1cc(nn2c1nc(c2)C)C3=CC(=O)[N]4=C(N3)C= CC(=C4)N5CCNC6(C5)CC6; Cc1cn2nc(cc(C)c2n 1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5 |
7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one |
| 47921 |  Y5B |
1 | C28 H21 F6 N O3 S | InChI=1S/C28H21F6NO3S/c29 -27(30,31)26(36,28(32,33) 34)23-15-17-24(18-16-23)3 5(39(37,38)25-9-5-2-6-10- 25)19-20-11-13-22(14-12-2 0)21-7-3-1-4-8-21/h1-18,3 6H,19H2; QNAWYCWKQPMYME-UHFFFAOYSA-N |
OC(c1ccc(cc1)N(Cc2ccc(cc2)c3ccccc3)[S](= O)(=O)c4ccccc4)(C(F)(F)F)C(F)(F)F; O=S(= O)(N(Cc1ccc(cc1)c1ccccc1)c1ccc(cc1)C(O)( C(F)(F)F)C(F)(F)F)c1ccccc1; c1ccc(cc1)c2 ccc(cc2)CN(c3ccc(cc3)C(C(F)(F)F)(C(F)(F) F)O)S(=O)(=O)c4ccccc4 |
N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide |
| 47922 |  Y5C |
2 | C17 H17 F N4 O3 | InChI=1S/C17H17FN4O3/c18- 12-9-10(4-5-11(12)16(24)2 5)3-1-2-7-22-8-6-13-14(22 )15(23)21-17(19)20-13/h4- 6,8-9H,1-3,7H2,(H,24,25)( H3,19,20,21,23); MKEZEFIAXUENAX-UHFFFAOYSA-N |
NC1=Nc2ccn(CCCCc3ccc(C(O)=O)c(F)c3)c2C(= O)N1; c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3) N)F)C(=O)O; O=C(O)c1ccc(cc1F)CCCCn1ccc2N =C(N)NC(=O)c21 |
4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid |
| 47923 |  Y5D |
1 | C28 H32 F N9 O2 S | InChI=1S/C28H32FN9O2S/c1- 3-41(39,40)37-17-28(18-37 ,9-10-30)38-16-20(15-32-3 8)25-23-6-11-31-26(23)35- 27(34-25)33-21-4-5-22(24( 29)14-21)19-7-12-36(2)13- 8-19/h4-6,11,14-16,19H,3, 7-9,12-13,17-18H2,1-2H3,( H2,31,33,34,35); KODVAIZRONHLFN-UHFFFAOYSA-N |
CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc [nH]c4nc(n3)Nc5ccc(c(c5)F)C6CCN(CC6)C; C C[S](=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3nc( Nc4ccc(C5CCN(C)CC5)c(F)c4)nc6[nH]ccc36; c5c(c4c1c(ncc1)nc(Nc3ccc(C2CCN(C)CC2)c(c 3)F)n4)cnn5C6(CN(C6)S(CC)(=O)=O)CC#N |
{1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile |
| 47924 |  Y5E CHEMBL511 DB06691 ZINC000019144216 |
1 | C17 H23 N3 O | InChI=1S/C17H23N3O/c1-19( 2)12-13-20(17-6-4-5-11-18 -17)14-15-7-9-16(21-3)10- 8-15/h4-11H,12-14H2,1-3H3; YECBIJXISLIIDS-UHFFFAOYSA-N |
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1; CN(C)CC N(Cc1ccc(cc1)OC)c2ccccn2 |
mepyramine; ~{N}'-[(4-methoxyphenyl)methyl]-~{N},~{N}-dimethyl-~{N}'-pyridin-2-yl-ethane-1,2-diamine |
| 47925 |  Y5F |
1 | C13 H7 Cl N4 O3 | InChI=1S/C13H7ClN4O3/c14- 12-2-1-10(18(20)21)4-11(1 2)13(19)17-9-3-8(5-15)6-1 6-7-9/h1-4,6-7H,(H,17,19); QDJGFGPMRNZDNJ-UHFFFAOYSA-N |
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2cncc(c 2)C#N; O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N +]([O-])=O; c1cc(c(cc1[N+](=O)[O-])C(=O) Nc2cc(cnc2)C#N)Cl |
2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide |
| 47926 |  Y5G |
1 | C28 H33 N9 O2 S | InChI=1S/C28H33N9O2S/c1-3 -40(38,39)36-18-28(19-36, 11-12-29)37-17-22(16-31-3 7)25-24-8-13-30-26(24)34- 27(33-25)32-23-6-4-20(5-7 -23)21-9-14-35(2)15-10-21 /h4-8,13,16-17,21H,3,9-11 ,14-15,18-19H2,1-2H3,(H2, 30,32,33,34); VEXRNZJDEGTDGD-UHFFFAOYSA-N |
CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc [nH]c4nc(n3)Nc5ccc(cc5)C6CCN(CC6)C; CC[S ](=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3nc(Nc4 ccc(cc4)C5CCN(C)CC5)nc6[nH]ccc36; c5c(c3 c4c(nc(Nc2ccc(C1CCN(C)CC1)cc2)n3)ncc4)cn n5C6(CN(C6)S(CC)(=O)=O)CC#N |
{1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile |
| 47927 |  Y5H CHEMBL4294106 ZINC000082874039 |
1 | C22 H28 Cl N4 O3 S | InChI=1S/C22H28ClN4O3S/c1 -27(2,3)11-5-10-26-21(28) 17-14-6-4-9-25(14)19(18(1 7)22(26)29)13-12-30-20(24 -13)15-7-8-16(23)31-15/h7 -8,12,14,17-19H,4-6,9-11H 2,1-3H3/q+1/t14-,17-,18-, 19-/m0/s1; JCNHSXPHCSYYCR-QZHFEQFPSA-N |
C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@ @]3[C@H]([C@H]2C1=O)c4coc(n4)c5ccc(s5)Cl ; C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O )c4coc(n4)c5ccc(s5)Cl; C[N+](C)(C)CCCN1C (=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c 4coc(n4)c5sc(Cl)cc5; C[N+](C)(C)CCCN1C(= O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4coc(n4 )c5sc(Cl)cc5 |
3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM |
| 47928 |  Y5I |
1 | C21 H20 F2 N2 O4 S | InChI=1S/C21H20F2N2O4S/c1 -13-24-25-21(30-13)15-4-7 -19(18(23)11-15)29-10-2-9 -28-16-6-3-14(17(22)12-16 )5-8-20(26)27/h3-4,6-7,11 -12H,2,5,8-10H2,1H3,(H,26 ,27); GKRRPRIZEADZRR-UHFFFAOYSA-N |
Cc1nnc(s1)c2ccc(c(c2)F)OCCCOc3ccc(c(c3)F )CCC(=O)O; Cc1sc(nn1)c2ccc(OCCCOc3ccc(CC C(O)=O)c(F)c3)c(F)c2 |
3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid |
| 47929 |  Y5J CHEMBL4876166 |
2 | C15 H11 Cl N4 O3 | InChI=1S/C15H11ClN4O3/c1- 22-8-2-3-11-10(6-8)17-12( 21)7-20(11)14-13-9(4-5-23 -13)18-15(16)19-14/h2-6H, 7H2,1H3,(H,17,21); CIWSQRPJOUYPNZ-UHFFFAOYSA-N |
COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)C l; c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)O C)occ4; COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc 4ccoc34 |
4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
| 47930 |  Y5L CHEMBL4879163 |
2 | C16 H15 Cl N4 O2 | InChI=1S/C16H15ClN4O2/c1- 23-9-5-6-13-12(7-9)18-14( 22)8-21(13)15-10-3-2-4-11 (10)19-16(17)20-15/h5-7H, 2-4,8H2,1H3,(H,18,22); JFFNCFQJSOVJEN-UHFFFAOYSA-N |
COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4CCCc34; COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CC C4; c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3) OC)CCC4 |
4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
| 47931 |  Y5M CHEMBL4855608 |
2 | C17 H18 N4 O2 | InChI=1S/C17H18N4O2/c1-10 -18-13-5-3-4-12(13)17(19- 10)21-9-16(22)20-14-8-11( 23-2)6-7-15(14)21/h6-8H,3 -5,9H2,1-2H3,(H,20,22); UEPKZTFWZFQXML-UHFFFAOYSA-N |
Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2 ; Cc1nc4c(c(n1)N3c2ccc(cc2NC(C3)=O)OC)CC C4; COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4CCCc 34 |
7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one |
| 47932 |  Y5N |
16 | C19 H16 Cl2 N2 | InChI=1S/C19H16Cl2N2/c20- 16-7-4-8-17(12-16)23-18(1 1-14-5-2-1-3-6-14)15-9-10 -19(21)22-13-15/h1-10,12- 13,18,23H,11H2/t18-/m0/s1; FPQMXEJXTNDYME-SFHVURJKSA-N |
c1ccc(cc1)CC(c2ccc(nc2)Cl)Nc3cccc(c3)Cl; Clc1cccc(N[CH](Cc2ccccc2)c3ccc(Cl)nc3)c 1; Clc1cccc(N[C@@H](Cc2ccccc2)c3ccc(Cl)n c3)c1; c1ccc(cc1)C[C@@H](c2ccc(nc2)Cl)Nc 3cccc(c3)Cl |
3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline |
| 47933 |  Y5O |
1 | C13 H7 Cl N4 O3 | InChI=1S/C13H7ClN4O3/c14- 12-4-3-10(18(20)21)5-11(1 2)13(19)17-9-2-1-8(6-15)1 6-7-9/h1-5,7H,(H,17,19); GGFOYRUYCGALNH-UHFFFAOYSA-N |
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccc(nc 2)C#N; N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([ O-])=O)cn1; c1cc(c(cc1[N+](=O)[O-])C(=O) Nc2ccc(nc2)C#N)Cl |
2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide |
| 47934 |  Y5P ZINC000263621338 |
0 | C9 H15 N2 O7 P | InChI=1S/C9H15N2O7P/c12-7 -6(4-17-19(14,15)16)18-9( 8(7)13)11-3-1-2-10-5-11/h 1,3,5-9,12-13H,2,4H2,(H2, 14,15,16)/t6-,7-,8-,9-/m1 /s1; ZGXCQKJYIKURPN-FNCVBFRFSA-N |
C1C=CN(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O; C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2 )COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH](O[CH ]1CO[P](O)(O)=O)N2C=CCN=C2; O=P(O)(O)OCC 2OC(N1C=NCC=C1)C(O)C2O; O[C@H]1[C@@H](O) [C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CCN=C2 |
1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine; PYRIMIDINE RIBOSIDE-5'-MONOPHOSPHATE |
| 47935 |  Y5Q |
1 | C48 H61 Cl2 N9 O9 S2 | InChI=1S/C48H61Cl2N9O9S2/ c1-7-32-24-57(46(63)40-10 -8-9-39(32)59(40)70(65,66 )37-20-34(49)19-35(50)21- 37)30(3)38-26-56(55-54-38 )15-16-67-17-18-68-27-42( 61)53-44(48(4,5)6)47(64)5 8-25-36(60)22-41(58)45(62 )51-23-31-11-13-33(14-12- 31)43-29(2)52-28-69-43/h7 ,11-14,19-21,26,28,30,32, 36,39-41,44,60H,1,8-10,15 -18,22-25,27H2,2-6H3,(H,5 1,62)(H,53,61)/t30-,32-,3 6+,39+,40-,41-,44+/m0/s1; MFMLZZDFONRVIU-SNTVEAOZSA-N |
C[CH](N1C[CH](C=C)[CH]2CCC[CH](N2[S](=O) (=O)c3cc(Cl)cc(Cl)c3)C1=O)c4cn(CCOCCOCC( =O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6c cc(cc6)c7scnc7C)C(C)(C)C)nn4; Cc1c(scn1) c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[ C@H](C(C)(C)C)NC(=O)COCCOCCn4cc(nn4)[C@H ](C)N5C[C@@H]([C@H]6CCC[C@@H](C5=O)N6S(= O)(=O)c7cc(cc(c7)Cl)Cl)C=C)O; C[C@H](N1C [C@H](C=C)[C@H]2CCC[C@H](N2[S](=O)(=O)c3 cc(Cl)cc(Cl)c3)C1=O)c4cn(CCOCCOCC(=O)N[C @H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc6ccc( cc6)c7scnc7C)C(C)(C)C)nn4; Cc1c(scn1)c2c cc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC (=O)COCCOCCn4cc(nn4)C(C)N5CC(C6CCCC(C5=O )N6S(=O)(=O)c7cc(cc(c7)Cl)Cl)C=C)O |
(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 47936 |  Y5R CHEMBL1172 DB00967 ZINC000000001261 |
1 | C19 H19 Cl N2 | InChI=1S/C19H19ClN2/c20-1 6-5-6-17-15(12-16)4-3-14- 2-1-9-22-19(14)18(17)13-7 -10-21-11-8-13/h1-2,5-6,9 ,12,21H,3-4,7-8,10-11H2; JAUOIFJMECXRGI-UHFFFAOYSA-N |
c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2)Cl; Clc1ccc2c(CCc3cccnc3C2=C4CCNCC4)c1 |
desloratadine; 13-chloranyl-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene |
| 47937 |  Y5S |
2 | C24 H41 N3 O8 S | InChI=1S/C24H41N3O8S/c1-1 4(2)8-19(27-24(31)35-13-1 7-10-15-4-3-5-16(9-15)11- 17)22(29)26-20(23(30)36(3 2,33)34)12-18-6-7-25-21(1 8)28/h14-20,23,30H,3-13H2 ,1-2H3,(H,25,28)(H,26,29) (H,27,31)(H,32,33,34)/t15 -,16+,17-,18-,19-,20-,23- /m0/s1; PGYROSRJIVXTOE-LZHMTVEHSA-N |
CC(CC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O) NC(OCC3CC2CCCC(C2)C3)=O)C; CC(C)C[C@H](N C(=O)OC[C@H]1C[C@H]2CCC[C@H](C2)C1)C(=O) N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[S](O)( =O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S( =O)(=O)O)NC(=O)OCC2CC3CCCC(C3)C2; CC(C)C [CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C( =O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O) =O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC NC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@ @H]3CCC[C@@H](C3)C2 |
(1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47938 |  Y5T |
1 | C13 H10 Cl N3 O3 | InChI=1S/C13H10ClN3O3/c1- 8-6-9(4-5-15-8)16-13(18)1 1-7-10(17(19)20)2-3-12(11 )14/h2-7H,1H3,(H,15,16,18 ); SQONBECQQLGCLE-UHFFFAOYSA-N |
Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn 1; Cc1cc(ccn1)NC(=O)c2cc(ccc2Cl)[N+](=O) [O-] |
2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide |
| 47939 |  Y5U |
0 | C20 H16 N8 Se | InChI=1S/C20H16N8Se/c21-1 7(22)9-1-3-11-13(7-9)27-1 9(25-11)15-5-6-16(29-15)2 0-26-12-4-2-10(18(23)24)8 -14(12)28-20/h1-8H,(H3,21 ,22)(H3,23,24)(H,25,27)(H ,26,28); NXECULIQZLOKFU-UHFFFAOYSA-N |
N=C(N)c1ccc2nc([NH]c2c1)c1ccc([se]1)c1[N H]c2cc(ccc2n1)C(=N)N; c1cc2c(cc1C(=N)N)[ nH]c(n2)c3ccc([se]3)c4[nH]c5cc(ccc5n4)C( =N)N; [H]/N=C(\N)/c1cc2[nH]c(nc2cc1)c3[s e]c(cc3)c4nc5c([nH]4)cc(cc5)/C(=N\[H])/N ; NC(=N)c1ccc2nc([nH]c2c1)c3[se]c(cc3)c4 [nH]c5cc(ccc5n4)C(N)=N |
(2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide) |
| 47940 |  Y5V |
2 | C21 H21 N3 O5 | InChI=1S/C21H21N3O5/c1-12 -5-3-4-6-14(12)19-23-17(1 8(26)21(28)24-19)20(27)22 -10-9-13-7-8-15(25)16(11- 13)29-2/h3-8,11,25-26H,9- 10H2,1-2H3,(H,22,27)(H,23 ,24,28); KEGVYPYJMJWBAI-UHFFFAOYSA-N |
Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3cc c(c(c3)OC)O; COc1cc(CCNC(=O)C2=C(O)C(=O) NC(=N2)c3ccccc3C)ccc1O; c1ccc(c(c1)C2=NC (=C(C(N2)=O)O)C(NCCc3cc(c(cc3)O)OC)=O)C |
5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
| 47941 |  Y5X ZINC000140002228 |
1 | C12 H7 Cl F N3 O3 | InChI=1S/C12H7ClFN3O3/c13 -11-2-1-9(17(19)20)4-10(1 1)12(18)16-8-3-7(14)5-15- 6-8/h1-6H,(H,16,18); YYVSYARVIWSRBD-UHFFFAOYSA-N |
c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cnc2)F )Cl; O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([ O-])=O; [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)N c2cncc(F)c2 |
2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide |
| 47942 |  Y5Y CHEMBL4853960 |
1 | C20 H24 N8 O | InChI=1S/C20H24N8O/c1-3-2 8-18(14-8-21-12(2)22-9-14 )26-16-17(23-11-24-19(16) 28)25-15-6-7-27(10-15)20( 29)13-4-5-13/h8-9,11,13,1 5H,3-7,10H2,1-2H3,(H,23,2 4,25)/t15-/m0/s1; DADGJAZOHPBTCZ-HNNXBMFYSA-N |
CCn1c2c(c(ncn2)N[C@H]3CCN(C3)C(=O)C4CC4) nc1c5cnc(nc5)C; CCn1c2c(c(ncn2)NC3CCN(C3 )C(=O)C4CC4)nc1c5cnc(nc5)C; CCn1c2ncnc(N [CH]3CCN(C3)C(=O)C4CC4)c2nc1c5cnc(C)nc5; CCn1c2ncnc(N[C@H]3CCN(C3)C(=O)C4CC4)c2n c1c5cnc(C)nc5; CCn4c(nc1c4ncnc1NC3CCN(C( C2CC2)=O)C3)c5cnc(nc5)C |
cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone |
| 47943 |  Y5Z |
2 | C27 H31 F N6 O9 | InChI=1S/C27H31FN6O9/c28- 16-13-14(3-1-2-11-34-12-1 0-17-22(34)24(39)33-27(29 )32-17)4-5-15(16)23(38)31 -19(26(42)43)6-8-20(35)30 -18(25(40)41)7-9-21(36)37 /h4-5,10,12-13,18-19H,1-3 ,6-9,11H2,(H,30,35)(H,31, 38)(H,36,37)(H,40,41)(H,4 2,43)(H3,29,32,33,39)/t18 -,19-/m0/s1; HMMICCIWWRSKPK-OALUTQOASA-N |
NC1=Nc2ccn(CCCCc3ccc(c(F)c3)C(=O)N[CH](C CC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)c2C(= O)N1; O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c 1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21)C(=O )O; c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N) F)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O )O; c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N) F)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C (=O)O)C(=O)O; NC1=Nc2ccn(CCCCc3ccc(c(F)c 3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C (O)=O)C(O)=O)c2C(=O)N1 |
N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid |
| 47944 |  Y60 CHEMBL251643 ZINC000000057206 |
1 | C13 H18 Cl N O | InChI=1S/C13H18ClNO/c1-9( 15-13(2,3)4)12(16)10-6-5- 7-11(14)8-10/h5-9,15H,1-4 H3/t9-/m1/s1; SNPPWIUOZRMYNY-SECBINFHSA-N |
C[CH](NC(C)(C)C)C(=O)c1cccc(Cl)c1; C[C@@ H](NC(C)(C)C)C(=O)c1cccc(Cl)c1; CC(C(=O) c1cccc(c1)Cl)NC(C)(C)C; C[C@H](C(=O)c1cc cc(c1)Cl)NC(C)(C)C |
(2~{R})-2-(~{tert}-butylamino)-1-(3-chlorophenyl)propan-1-one |
| 47945 |  Y61 CHEMBL5085659 |
2 | C26 H30 N4 O2 S | InChI=1S/C26H30N4O2S/c1-1 6-7-8-21(30-22-13-27-14-2 2)12-24(16)26(32)29-17(2) 19-5-4-6-20(11-19)25-10-9 -23(33-25)15-28-18(3)31/h 4-12,17,22,27,30H,13-15H2 ,1-3H3,(H,28,31)(H,29,32) /t17-/m1/s1; XOTUFJPCITWJHW-QGZVFWFLSA-N |
Cc1ccc(cc1C(=O)NC(C)c2cccc(c2)c3ccc(s3)C NC(=O)C)NC4CNC4; C[CH](NC(=O)c1cc(NC2CNC 2)ccc1C)c3cccc(c3)c4sc(CNC(C)=O)cc4; Cc1 ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3) CNC(=O)C)NC4CNC4; C[C@@H](NC(=O)c1cc(NC2 CNC2)ccc1C)c3cccc(c3)c4sc(CNC(C)=O)cc4; N(C(c1cc(ccc1C)NC2CNC2)=O)C(c3cc(ccc3)c4 sc(cc4)CNC(C)=O)C |
N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide |
| 47946 |  Y62 |
1 | C13 H7 Cl N4 O3 | InChI=1S/C13H7ClN4O3/c14- 11-3-2-9(18(20)21)5-10(11 )13(19)17-12-4-1-8(6-15)7 -16-12/h1-5,7H,(H,16,17,1 9); WLQNMMZWQLFUOW-UHFFFAOYSA-N |
O=C(Nc1ccc(cn1)C#N)c1cc(ccc1Cl)[N+]([O-] )=O; c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccc( cn2)C#N)Cl; [O-][N+](=O)c1ccc(Cl)c(c1)C( =O)Nc2ccc(cn2)C#N |
2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide |
| 47947 |  Y63 |
2 | C37 H37 F N6 O4 | InChI=1S/C37H37FN6O4/c1-2 -23-7-3-8-24-9-4-10-27(31 (23)24)33-32(38)34-28(19- 39-33)35(41-36(40-34)48-2 2-37-15-5-17-43(37)18-6-1 6-37)42-20-25-11-12-26(21 -42)44(25)29(45)13-14-30( 46)47/h1,3-4,7-10,19,25-2 6H,5-6,11-18,20-22H2,(H,4 6,47)/t25-,26+; GUVKCXDNOZPYFC-WMPKNSHKSA-N |
OC(=O)CCC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OC C45CCCN4CCC5)nc6c(F)c(ncc36)c7cccc8cccc( C#C)c78; C#Cc1cccc2c1c(ccc2)c3c(c4c(cn3) c(nc(n4)OCC56CCCN5CCC6)N7C[C@H]8CC[C@@H] (C7)N8C(=O)CCC(=O)O)F; OC(=O)CCC(=O)N1[C @@H]2CC[C@H]1CN(C2)c3nc(OCC45CCCN4CCC5)n c6c(F)c(ncc36)c7cccc8cccc(C#C)c78; C#Cc1 cccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56C CCN5CCC6)N7CC8CCC(C7)N8C(=O)CCC(=O)O)F; O=C(O)CCC(=O)N1C2CCC1CN(C2)c1nc(nc2c(F)c (ncc21)c1cccc2cccc(C#C)c21)OCC12CCCN2CCC 1 |
4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid |
| 47948 |  Y64 |
2 | C24 H39 N3 O8 S | InChI=1S/C24H39N3O8S/c1-1 4(2)8-19(27-24(31)35-13-1 7-10-15-4-3-5-16(9-15)11- 17)22(29)26-20(23(30)36(3 2,33)34)12-18-6-7-25-21(1 8)28/h3-4,14-20,23,30H,5- 13H2,1-2H3,(H,25,28)(H,26 ,29)(H,27,31)(H,32,33,34) /t15-,16+,17-,18-,19-,20- ,23-/m0/s1; ZIWRGXZFSGDQST-LZHMTVEHSA-N |
CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C 1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S] (O)(=O)=O; CC(C)C[C@H](NC(=O)OC[C@@H]1C[ C@@H]2CC=C[C@H](C1)C2)C(=O)N[C@@H](C[C@@ H]3CCNC3=O)[C@@H](O)[S](O)(=O)=O; CC(C)C [C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O) S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C @@H](C3)C2; CC(C)CC(C(=O)NC(CC1CCNC1=O)C (O)S(=O)(=O)O)NC(=O)OCC2CC3CC=CC(C3)C2 |
(1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47949 |  Y65 |
4 | C21 H30 N8 O15 P2 | InChI=1S/C21H30N8O15P2/c2 2-9(21(34)35)1-8-2-28(6-2 6-8)19-15(32)13(30)10(42- 19)3-40-45(36,37)44-46(38 ,39)41-4-11-14(31)16(33)2 0(43-11)29-7-27-12-17(23) 24-5-25-18(12)29/h2,5-7,9 -11,13-16,19-20,30-33H,1, 3-4,22H2,(H,34,35)(H,36,3 7)(H,38,39)(H2,23,24,25)/ t9-,10+,11+,13+,14+,15+,1 6+,19+,20+/m0/s1; NPNIPERJQFLOGA-KQRTYHPUSA-N |
c1c(ncn1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC C3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)CC(C(= O)O)N; N[CH](Cc1cn(cn1)[CH]2O[CH](CO[P]( O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH ]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)= O; N[C@@H](Cc1cn(cn1)[C@@H]2O[C@H](CO[P] (O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O )[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H ]2O)C(O)=O; c1c(ncn1[C@H]2[C@@H]([C@@H]( [C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@ H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O) O)C[C@@H](C(=O)O)N |
(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid |
| 47950 |  Y66 |
1 | C40 H46 N12 O17 P2 S | InChI=1S/C40H46N12O17P2S/ c1-16-8-22-23(9-17(16)2)5 2-27(55)10-21(19-4-6-20(7 -5-19)34(59)45-39-49-48-1 8(3)72-39)40(52)36(46-38( 61)47-37(40)60)50(22)11-2 4(53)29(56)25(54)12-66-70 (62,63)69-71(64,65)67-13- 26-30(57)31(58)35(68-26)5 1-15-44-28-32(41)42-14-43 -33(28)51/h4-9,14-15,21,2 4-27,29-31,35,53-58H,10-1 3H2,1-3H3,(H,62,63)(H,64, 65)(H2,41,42,43)(H,45,49, 59)(H,47,60,61)/t21-,24+, 25-,26+,27+,29+,30+,31+,3 5+,40-/m0/s1; SKBAOTRWYXLZLI-ONKGDOPGSA-N |
Cc1sc(NC(=O)c2ccc(cc2)[C@@H]3C[C@@H](O)N 4c5cc(C)c(C)cc5N(C[C@@H](O)[C@@H](O)[C@@ H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]6O[C@ H]([C@H](O)[C@@H]6O)n7cnc8c(N)ncnc78)C9= NC(=O)NC(=O)[C@@]349)nn1; Cc1cc2c(cc1C)N 3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O) (O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N) O)O)O)O)O)c8ccc(cc8)C(=O)Nc9nnc(s9)C)O; Cc1cc2c(cc1C)N3[C@@H](C[C@H]([C@]34C(=O) NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O )OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5 )n6cnc7c6ncnc7N)O)O)O)O)O)c8ccc(cc8)C(=O )Nc9nnc(s9)C)O; Cc1nnc(NC(=O)c2ccc(cc2)C 2CC(O)N3c4cc(C)c(C)cc4N(CC(O)C(O)C(O)COP (=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65) C(O)C4O)C4=NC(=O)NC(=O)C432)s1; Cc1sc(NC (=O)c2ccc(cc2)[CH]3C[CH](O)N4c5cc(C)c(C) cc5N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O [P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7c nc8c(N)ncnc78)C9=NC(=O)NC(=O)[C]349)nn1 |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate |
| 47951 |  Y67 CHEMBL5081793 |
1 | C26 H20 Cl N5 O2 | InChI=1S/C26H20ClN5O2/c27 -20-6-3-5-18(15-20)16-31( 25(33)17-32-24-9-2-1-8-23 (24)29-30-32)21-12-10-19( 11-13-21)22-7-4-14-28-26( 22)34/h1-15H,16-17H2,(H,2 8,34); OMFBUEFMMHUWOX-UHFFFAOYSA-N |
c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4c cc(cc4)C5=CC=CNC5=O; Clc1cccc(CN(C(=O)Cn 2nnc3ccccc23)c4ccc(cc4)C5=CC=CNC5=O)c1 |
2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide |
| 47952 |  Y68 CHEMBL5939943 |
1 | C22 H19 Cl F3 N5 O4 | InChI=1S/C22H19ClF3N5O4/c 23-16-3-12(4-17(6-16)35-2 2(24,25)26)11-34-21(33)31 -9-14-7-30(8-15(14)10-31) 20(32)13-1-2-18-19(5-13)2 8-29-27-18/h1-6,14-15H,7- 11H2,(H,27,28,29); SVROMCXBWOMGJP-UHFFFAOYSA-N |
c1cc2c(cc1C(=O)N3CC4CN(CC4C3)C(=O)OCc5cc (cc(c5)Cl)OC(F)(F)F)nn[nH]2; FC(F)(F)Oc1 cc(Cl)cc(COC(=O)N2C[CH]3CN(C[CH]3C2)C(=O )c4ccc5[nH]nnc5c4)c1; FC(F)(F)Oc1cc(cc(C l)c1)COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[N H]c2cc1; FC(F)(F)Oc1cc(Cl)cc(COC(=O)N2C[ C@@H]3CN(C[C@@H]3C2)C(=O)c4ccc5[nH]nnc5c 4)c1; c1cc2c(cc1C(=O)N3C[C@@H]4CN(C[C@@H ]4C3)C(=O)OCc5cc(cc(c5)Cl)OC(F)(F)F)nn[n H]2 |
[3-chloro-5-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
| 47953 |  Y69 ZINC000215991936 |
2 | C17 H34 O4 | InChI=1S/C17H34O4/c1-2-19 -14-15-21-17-16-20-13-11- 9-7-5-3-4-6-8-10-12-18/h1 2H,2-11,13-17H2,1H3; FUVMRIQNBOWRMW-UHFFFAOYSA-N |
CCOCCOCCOCCCCCCCCCCC=O; O=CCCCCCCCCCCOCC OCCOCC |
11-[2-(2-ethoxyethoxy)ethoxy]undecanal |
| 47954 |  Y6A CHEMBL5092270 |
2 | C22 H18 N6 O S | InChI=1S/C22H18N6OS/c29-2 2(14-28-21-4-2-1-3-20(21) 25-26-28)27(13-16-9-10-30 -15-16)19-7-5-17(6-8-19)1 8-11-23-24-12-18/h1-12,15 H,13-14H2,(H,23,24); PYVQFTGANJRGEP-UHFFFAOYSA-N |
c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc 4)c5c[nH]nc5; O=C(Cn1nnc2ccccc12)N(Cc3cs cc3)c4ccc(cc4)c5c[nH]nc5 |
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide |
| 47955 |  Y6C |
4 | C16 H11 N3 O3 | InChI=1S/C16H11N3O3/c20-1 3(5-6-14(21)22)19-12-9-10 -3-1-7-17-15(10)16-11(12) 4-2-8-18-16/h1-9H,(H,19,2 0)(H,21,22)/b6-5-; TVPGTODVJPAAAB-WAYWQWQTSA-N |
OC(=O)\C=C/C(=O)Nc1cc2cccnc2c3ncccc13; O C(=O)C=CC(=O)Nc1cc2cccnc2c3ncccc13; c1cc 2cc(c3cccnc3c2nc1)NC(=O)C=CC(=O)O |
4-oxidanylidene-4-(1,10-phenanthrolin-5-ylamino)but-2-enoic acid |
| 47956 |  Y6D CHEMBL2442056 ZINC000096940052 |
1 | C24 H19 N5 O S | InChI=1S/C24H19N5OS/c30-2 4(16-29-23-6-2-1-5-22(23) 26-27-29)28(15-18-11-13-3 1-17-18)21-9-7-19(8-10-21 )20-4-3-12-25-14-20/h1-14 ,17H,15-16H2; LHBIUOYHJIXRST-UHFFFAOYSA-N |
O=C(Cn1nnc2ccccc12)N(Cc3cscc3)c4ccc(cc4) c5cccnc5; c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc 3)c4ccc(cc4)c5cccnc5 |
2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide |
| 47957 |  Y6E CHEMBL4206272 |
1 | C25 H23 F N4 O3 S | InChI=1S/C25H23FN4O3S/c1- 34(32,33)30-12-10-29(11-1 3-30)24(31)21-15-28-22-7- 6-19(26)14-20(22)23(21)17 -2-4-18(5-3-17)25(16-27)8 -9-25/h2-7,14-15H,8-13H2, 1H3; WIXZFNIBMHEUJH-UHFFFAOYSA-N |
CS(=O)(=O)N1CCN(CC1)C(=O)c2cnc3ccc(cc3c2 c4ccc(cc4)C5(CC5)C#N)F; O=S(C)(=O)N1CCN( CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C #N)CC1; C[S](=O)(=O)N1CCN(CC1)C(=O)c2cnc 3ccc(F)cc3c2c4ccc(cc4)C5(CC5)C#N |
1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile |
| 47958 |  Y6F CHEMBL1198449 ZINC000003001461 |
1 | C21 H25 N3 O2 S2 | InChI=1S/C21H25N3O2S2/c1- 5-24(6-2)28(25,26)19-11-8 -17(9-12-19)20-14-27-21(2 3-20)22-18-10-7-15(3)16(4 )13-18/h7-14H,5-6H2,1-4H3 ,(H,22,23); CFAYJTHICHSZHC-UHFFFAOYSA-N |
CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Nc2ccc(C )c(C)c2)n1; CCN(CC)S(=O)(=O)c1ccc(cc1)c2 csc(n2)Nc3ccc(c(c3)C)C; CCN(CC)[S](=O)(= O)c1ccc(cc1)c2csc(Nc3ccc(C)c(C)c3)n2 |
MMV009108; 4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide |
| 47959 |  Y6G CHEMBL5092107 |
3 | C22 H18 N6 O S | InChI=1S/C22H18N6OS/c29-2 2(13-28-21-4-2-1-3-19(21) 25-26-28)27(12-16-9-10-30 -14-16)18-7-5-17(6-8-18)2 0-11-23-15-24-20/h1-11,14 -15H,12-13H2,(H,23,24); XZJQABWECIWHRU-UHFFFAOYSA-N |
c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc 4)c5c[nH]cn5; O=C(Cn1nnc2ccccc12)N(Cc3cs cc3)c4ccc(cc4)c5c[nH]cn5 |
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide |
| 47960 |  Y6H |
10 | C25 H33 N O5 | InChI=1S/C25H33NO5/c1-23( 2,3)25(30-15-24(4,5)16-31 -25)19-10-7-17(8-11-19)14 -26-20-12-9-18(22(27)28)1 3-21(20)29-6/h7-13,26H,14 -16H2,1-6H3,(H,27,28); CZSPKEVHLRWAFC-UHFFFAOYSA-N |
CC1(COC(OC1)(c2ccc(cc2)CNc3ccc(cc3OC)C(= O)O)C(C)(C)C)C; CC1(C)COC(OC1)(c1ccc(CNc 2ccc(cc2OC)C(=O)O)cc1)C(C)(C)C; COc1cc(c cc1NCc2ccc(cc2)C3(OCC(C)(C)CO3)C(C)(C)C) C(O)=O |
4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid |
| 47961 |  Y6I CHEMBL5982935 |
1 | C22 H21 F4 N7 O4 | InChI=1S/C22H21F4N7O4/c23 -15-9-13(1-2-19(15)37-22( 24,25)26)12-36-21(35)31-5 -3-14-10-17(29-33(14)8-7- 31)20(34)32-6-4-16-18(11- 32)28-30-27-16/h1-2,9-10H ,3-8,11-12H2,(H,27,28,30); VKVXAFZJLAELDA-UHFFFAOYSA-N |
Fc1cc(COC(=O)N2CCn3nc(cc3CC2)C(=O)N4CCc5 [nH]nnc5C4)ccc1OC(F)(F)F; FC(F)(F)Oc1ccc (cc1F)COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2 [NH]nnc2C1; c1cc(c(cc1COC(=O)N2CCc3cc(nn 3CC2)C(=O)N4CCc5c(nn[nH]5)C4)F)OC(F)(F)F |
[3-fluoro-4-(trifluoromethoxy)phenyl]methyl (9R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-4,5,7,8-tetrahydro-6H-pyrazolo[1,5-d][1,4]diazepine-6-carboxylate |
| 47962 |  Y6J CHEMBL2442081 |
3 | C23 H21 N5 O2 S | InChI=1S/C23H21N5O2S/c29- 22(14-28-21-4-2-1-3-20(21 )25-26-28)27(13-16-11-12- 31-15-16)19-9-7-18(8-10-1 9)24-23(30)17-5-6-17/h1-4 ,7-12,15,17H,5-6,13-14H2, (H,24,30); OCKMJWOFMCSMEX-UHFFFAOYSA-N |
c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc 4)NC(=O)C5CC5; O=C(Cn1nnc2ccccc12)N(Cc3c scc3)c4ccc(NC(=O)C5CC5)cc4 |
~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide |
| 47963 |  Y6K |
1 | C16 H22 O5 | InChI=1S/C16H22O5/c1-9-6- 16(14(19)20-5)7-10(9)12(1 7)11(8-16)13(18)21-15(2,3 )4/h10-11H,1,6-8H2,2-5H3/ t10-,11-,16+/m1/s1; ILHZGEBKECHEND-UVWXRNBGSA-N |
CC(C)(C)OC(=O)[C@@H]1C[C@]2(C[C@@H](C1=O )C(=C)C2)C(=O)OC; COC(=O)[C]12C[CH](C(=C )C1)C(=O)[CH](C2)C(=O)OC(C)(C)C; CC(C)(C )OC(=O)C1CC2(CC(C1=O)C(=C)C2)C(=O)OC; CO C(=O)[C@]12C[C@H](C(=C)C1)C(=O)[C@@H](C2 )C(=O)OC(C)(C)C |
~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R},5~{R})-6-methylidene-4-oxidanylidene-bicyclo[3.2.1]octane-1,3-dicarboxylate |
| 47964 |  Y6L |
2 | C26 H27 F N4 O4 | InChI=1S/C26H27FN4O4/c1-2 6(2,28)17-13-20(15-4-7-18 (27)8-5-15)29-21(14-17)25 (33)31-30-24(32)16-6-11-2 2(23(12-16)34-3)35-19-9-1 0-19/h4-8,11-14,19H,9-10, 28H2,1-3H3,(H,30,32)(H,31 ,33); RLLFSRLPEMDZNU-UHFFFAOYSA-N |
CC(C)(c1cc(nc(c1)C(=O)NNC(=O)c2ccc(c(c2) OC)OC3CC3)c4ccc(cc4)F)N; COc1cc(ccc1OC2C C2)C(=O)NNC(=O)c3cc(cc(n3)c4ccc(F)cc4)C( C)(C)N; O=C(NNC(=O)c1ccc(OC2CC2)c(OC)c1) c1cc(cc(n1)c1ccc(F)cc1)C(C)(C)N |
4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide |
| 47965 |  Y6M |
1 | C9 H11 N O2 | InChI=1S/C9H11NO2/c11-7-3 -1-6-2-4-9(12)10-8(6)5-7/ h1,3,5,9-12H,2,4H2; PZQZHZIVKKFGLF-UHFFFAOYSA-N |
O[C@@H]1CCc2ccc(O)cc2N1; Oc1ccc2c(c1)NC( O)CC2; O[CH]1CCc2ccc(O)cc2N1; c1cc2c(cc1 O)NC(CC2)O |
(2R)-1,2,3,4-tetrahydroquinoline-2,7-diol |
| 47966 |  Y6N CHEMBL5852051 |
1 | C15 H16 N4 O2 S | InChI=1S/C15H16N4O2S/c1-8 -16-11-6-12(10(9-3-4-9)5- 13(11)22-8)21-7-14-17-18- 15(20)19(14)2/h5-6,9H,3-4 ,7H2,1-2H3,(H,18,20); WLSMQRKHZPITKA-UHFFFAOYSA-N |
CN1C(=O)NN=C1COc2cc3nc(C)sc3cc2C4CC4; Cc 1nc2cc(c(cc2s1)C3CC3)OCC4=NNC(=O)N4C; O= C1NN=C(COc2cc3nc(C)sc3cc2C2CC2)N1C |
5-{[(6-cyclopropyl-2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| 47967 |  Y6O CHEMBL6069009 |
1 | C36 H54 O14 | InChI=1S/C36H54O14/c1-3-2 1-15-10-16-23(30(21)50-35 -29(41)28(40)26(38)19(2)4 5-35)47-36-32(49-34(44)22 -13-8-5-9-14-22)31(27(39) 25(18-37)48-36)46-24(33(4 2)43)17-20-11-6-4-7-12-20 /h5,8-9,13-14,19-21,23-32 ,35-41H,3-4,6-7,10-12,15- 18H2,1-2H3,(H,42,43)/t19- ,21-,23+,24-,25+,26+,27-, 28+,29-,30+,31-,32+,35-,3 6+/m0/s1; OLOMFBSAQARLKG-UFBMZIPWSA-N |
CC[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@ @H]([C@@H]([C@@H](O2)C)O)O)O)O[C@H]3[C@@ H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4 CCCCC4)C(=O)O)OC(=O)c5ccccc5; CC[C@H]1CC C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]( O[C@@H](CC3CCCCC3)C(O)=O)[C@H]2OC(=O)c4c cccc4)[C@@H]1O[C@@H]5O[C@@H](C)[C@@H](O) [C@@H](O)[C@@H]5O; CC[CH]1CCC[CH](O[CH]2 O[CH](CO)[CH](O)[CH](O[CH](CC3CCCCC3)C(O )=O)[CH]2OC(=O)c4ccccc4)[CH]1O[CH]5O[CH] (C)[CH](O)[CH](O)[CH]5O; CCC1CCCC(C1OC2C (C(C(C(O2)C)O)O)O)OC3C(C(C(C(O3)CO)O)OC( CC4CCCCC4)C(=O)O)OC(=O)c5ccccc5 |
(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid |
| 47968 |  Y6P |
6 | C13 H11 N3 O2 | InChI=1S/C13H11N3O2/c1-7- 3-2-4-9-10(8-5-14-15-6-8) 12(13(17)18)16-11(7)9/h2- 6,16H,1H3,(H,14,15)(H,17, 18); GUEVKZFKUSZADK-UHFFFAOYSA-N |
Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O; Cc1 cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3 |
7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid |
| 47969 |  Y6R CHEMBL5893800 |
1 | C25 H24 F3 N5 O3 | InChI=1S/C25H24F3N5O3/c26 -25(27,28)36-20-5-1-16(2- 6-20)3-8-23(34)32-11-9-18 -14-33(15-19(18)10-12-32) 24(35)17-4-7-21-22(13-17) 30-31-29-21/h1-8,13,18-19 H,9-12,14-15H2,(H,29,30,3 1); OTLINPKWWCLGCU-UHFFFAOYSA-N |
FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC 2CC1)C(=O)c1cc2nn[NH]c2cc1; FC(F)(F)Oc1c cc(C=CC(=O)N2CC[CH]3CN(C[CH]3CC2)C(=O)c4 ccc5[nH]nnc5c4)cc1; c1cc(ccc1C=CC(=O)N2C CC3CN(CC3CC2)C(=O)c4ccc5c(c4)nn[nH]5)OC( F)(F)F; FC(F)(F)Oc1ccc(/C=C/C(=O)N2CC[C@ H]3CN(C[C@H]3CC2)C(=O)c4ccc5[nH]nnc5c4)c c1; c1cc(ccc1/C=C/C(=O)N2CC[C@@H]3CN(C[C @@H]3CC2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F )F |
(2E)-1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
| 47970 |  Y6S ZINC000002443762 |
8 | C9 H6 I N O2 | InChI=1S/C9H6INO2/c10-6-2 -1-5-3-8(9(12)13)11-7(5)4 -6/h1-4,11H,(H,12,13); LLSYKFHQMUBJCF-UHFFFAOYSA-N |
OC(=O)c1[nH]c2cc(I)ccc2c1; c1cc(cc2c1cc( [nH]2)C(=O)O)I |
6-iodanyl-1~{H}-indole-2-carboxylic acid |
| 47971 |  Y6T |
1 | C55 H73 N5 O25 S3 | InChI=1S/C55H73N5O25S3/c1 -3-30-20-33(51(67)56-17-1 0-15-34-26-60(59-58-34)18 -16-42(62)57-37-24-35(86( 71,72)73)21-32-22-36(87(7 4,75)76)25-41(43(32)37)88 (77,78)79)23-38(48(30)85- 54-47(66)46(65)44(63)28(2 )80-54)82-55-50(84-53(70) 31-13-8-5-9-14-31)49(45(6 4)40(27-61)83-55)81-39(52 (68)69)19-29-11-6-4-7-12- 29/h5,8-9,13-14,21-22,24- 26,28-30,33,38-40,44-50,5 4-55,61,63-66H,3-4,6-7,10 -12,15-20,23,27H2,1-2H3,( H,56,67)(H,57,62)(H,68,69 )(H,71,72,73)(H,74,75,76) (H,77,78,79)/t28-,30-,33+ ,38+,39-,40+,44+,45-,46+, 47-,48+,49-,50+,54-,55+/m 0/s1; KCVSXMVECGDAAA-MKYNXKBWSA-N |
CC[CH]1C[CH](C[CH](O[CH]2O[CH](CO)[CH](O )[CH](O[CH](CC3CCCCC3)C(O)=O)[CH]2OC(=O) c4ccccc4)[CH]1O[CH]5O[CH](C)[CH](O)[CH]( O)[CH]5O)C(=O)NCCCc6cn(CCC(=O)Nc7cc(cc8c c(cc(c78)[S](O)(=O)=O)[S](O)(=O)=O)[S](O )(=O)=O)nn6; CCC1CC(CC(C1OC2C(C(C(C(O2)C )O)O)O)OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C (=O)O)OC(=O)c5ccccc5)C(=O)NCCCc6cn(nn6)C CC(=O)Nc7cc(cc8c7c(cc(c8)S(=O)(=O)O)S(=O )(=O)O)S(=O)(=O)O; CC[C@H]1C[C@H](C[C@@H ](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H ](CC3CCCCC3)C(O)=O)[C@H]2OC(=O)c4ccccc4) [C@@H]1O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H] (O)[C@@H]5O)C(=O)NCCCc6cn(CCC(=O)Nc7cc(c c8cc(cc(c78)[S](O)(=O)=O)[S](O)(=O)=O)[S ](O)(=O)=O)nn6; CC[C@H]1C[C@H](C[C@H]([C @@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O 2)C)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H ](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)OC(=O )c5ccccc5)C(=O)NCCCc6cn(nn6)CCC(=O)Nc7cc (cc8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O )(=O)O |
(2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S},5~{R})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[3-[1-[3-oxidanylidene-3-[(3,6,8-trisulfonaphthalen-1-yl)amino]propyl]-1,2,3-triazol-4-yl]propylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid |
| 47972 |  Y6U CHEMBL5431881 |
5 | C21 H23 N5 O6 | InChI=1S/C21H23N5O6/c22-2 1-24-14-9-11-26(17(14)19( 30)25-21)10-1-2-12-3-5-13 (6-4-12)18(29)23-15(20(31 )32)7-8-16(27)28/h3-6,9,1 1,15H,1-2,7-8,10H2,(H,23, 29)(H,27,28)(H,31,32)(H3, 22,24,25,30)/t15-/m0/s1; IBENGLXKAUDADJ-HNNXBMFYSA-N |
c1cc(ccc1CCCn2ccc3c2C(=O)NC(=N3)N)C(=O)N C(CCC(=O)O)C(=O)O; NC1=Nc2ccn(CCCc3ccc(c c3)C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1; c1cc(ccc1CCCn2ccc3c2C(=O)NC(=N3)N)C(=O) N[C@@H](CCC(=O)O)C(=O)O; NC1=Nc2ccn(CCCc 3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2 C(=O)N1; O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc 1)CCCn1ccc2N=C(N)NC(=O)c21 |
N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid |
| 47973 |  Y6V CHEMBL5401805 ZINC000030302978 |
30 | C17 H16 N2 O3 S | InChI=1S/C17H16N2O3S/c20- 16-10-22-15-8-11(3-6-14(1 5)18-16)17(21)19(12-4-5-1 2)9-13-2-1-7-23-13/h1-3,6 -8,12H,4-5,9-10H2,(H,18,2 0); XPHOPAPMJBSLFN-UHFFFAOYSA-N |
c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O )N4; O=C1COc2cc(ccc2N1)C(=O)N(Cc3sccc3)C 4CC4 |
~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide |
| 47974 |  Y6W ZINC000584905745 |
3 | C18 H29 N2 O13 P | InChI=1S/C18H29N2O13P/c21 -6-9-13(24)15(26)12(23)8( 32-9)2-1-5-34(29,30)31-7- 10-14(25)16(27)17(33-10)2 0-4-3-11(22)19-18(20)28/h 3-4,8-10,12-17,21,23-27H, 1-2,5-7H2,(H,29,30)(H,19, 22,28)/t8-,9-,10-,12+,13+ ,14-,15-,16-,17-/m1/s1; PDUJCKZVDKZKPQ-RUIRHDHUSA-N |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(CCCC 3C(C(C(C(O3)CO)O)O)O)O)O)O; C1=CN(C(=O)N C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O )(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3) CO)O)O)O)O)O)O; C1(OC(C(C(C1O)O)O)CO)CCC P(OCC3C(C(C(N2C(=O)NC(C=C2)=O)O3)O)O)(O) =O; OC[C@H]1O[C@H](CCC[P](O)(=O)OC[C@H]2 O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O) [C@H](O)[C@@H](O)[C@H]1O; OC[CH]1O[CH](C CC[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N 3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O |
|
| 47975 |  Y6X |
1 | C20 H18 Cl N5 O2 | InChI=1S/C20H18ClN5O2/c21 -15-3-12-5-16(6-17(12)13( 4-15)7-22)25-19-23-8-14(9 -24-19)18(27)26-2-1-20(26 )10-28-11-20/h3-4,8-9,16H ,1-2,5-6,10-11H2,(H,23,24 ,25)/t16-/m1/s1; IEGMVFCMBVSNLK-MRXNPFEDSA-N |
c1c(cc(c2c1C[C@@H](C2)Nc3ncc(cn3)C(=O)N4 CCC45COC5)C#N)Cl; Clc1cc2C[C@@H](Cc2c(c1 )C#N)Nc3ncc(cn3)C(=O)N4CCC45COC5; Clc1cc 2C[CH](Cc2c(c1)C#N)Nc3ncc(cn3)C(=O)N4CCC 45COC5; O=C(N1CCC21COC2)c1cnc(NC2Cc3cc(C l)cc(C#N)c3C2)nc1; c1c(cc(c2c1CC(C2)Nc3n cc(cn3)C(=O)N4CCC45COC5)C#N)Cl |
(2R)-6-chloro-2-{[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino}-2,3-dihydro-1H-indene-4-carbonitrile |
| 47976 |  Y6Y CHEMBL2311578 ZINC000095598073 |
20 | C27 H28 N4 O3 S2 | InChI=1S/C27H28N4O3S2/c1- 19-16-22(11-14-25(19)20-9 -12-24(13-10-20)36(2,32)3 3)34-18-26-29-30-27(35-23 -7-3-4-8-23)31(26)21-6-5- 15-28-17-21/h5-6,9-17,23H ,3-4,7-8,18H2,1-2H3; UJGTUKMAJVCBIS-UHFFFAOYSA-N |
Cc1cc(OCc2nnc(SC3CCCC3)n2c4cccnc4)ccc1c5 ccc(cc5)[S](C)(=O)=O; Cc1cc(ccc1c2ccc(cc 2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5 |
3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine |
| 47977 |  Y6Z |
1 | C37 H57 N O10 | InChI=1S/C37H57NO10/c1-22 -11-7-5-6-8-13-28(39)25(4 )31-19-15-24(3)37(46,48-3 1)34(43)35(44)38-20-10-9- 12-27(38)36(45)47-30(18-1 4-22)23(2)21-26-16-17-29( 40)33(42)32(26)41/h7-8,11 ,13,22-27,29-33,40-42,46H ,5-6,9-10,12,14-21H2,1-4H 3/b11-7+,13-8+/t22-,23+,2 4+,25-,26-,27-,29+,30-,31 -,32-,33-,37+/m0/s1; PSAJCYLXNSDJCJ-FALYXAMCSA-N |
C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O) [C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC =C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O; C[C@@H]/1CC[C@H](OC(=O)[C@@H]2CCCCN2C(= O)C(=O)[C@]3(O)O[C@@H](CC[C@H]3C)[C@@H]( C)C(=O)/C=C/CC\C=C/1)[C@H](C)C[C@@H]4CC[ C@@H](O)[C@H](O)[C@H]4O; C[C@@H]\1CC[C@H ](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]3([C@ @H](CC[C@H](O3)[C@H](C(=O)/C=C/CC/C=C1)C )C)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H]([C@H ]4O)O)O; CC1CCC(OC(=O)C2CCCCN2C(=O)C(=O) C3(C(CCC(O3)C(C(=O)C=CCCC=C1)C)C)O)C(C)C C4CCC(C(C4O)O)O |
Antascomicine B; (1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone |
| 47978 |  Y70 CHEMBL2093113 ZINC000003940470 |
33 | C13 H11 N3 O4 | InChI=1S/C13H11N3O4/c14-7 -3-1-2-6-10(7)13(20)16(12 (6)19)8-4-5-9(17)15-11(8) 18/h1-3,8H,4-5,14H2,(H,15 ,17,18)/t8-/m0/s1; UVSMNLNDYGZFPF-QMMMGPOBSA-N |
O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3=O)N; Nc 1cccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12 ; c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O )NC3=O; Nc1cccc2C(=O)N([CH]3CCC(=O)NC3=O )C(=O)c12; c1cc2c(c(c1)N)C(=O)N(C2=O)C3C CC(=O)NC3=O |
S-Pomalidomide |
| 47979 |  Y71 |
2 | C22 H35 N3 O8 S | InChI=1S/C22H35N3O8S/c1-1 2(2)7-17(25-22(29)33-11-1 6-9-13-3-4-14(16)8-13)20( 27)24-18(21(28)34(30,31)3 2)10-15-5-6-23-19(15)26/h 3-4,12-18,21,28H,5-11H2,1 -2H3,(H,23,26)(H,24,27)(H ,25,29)(H,30,31,32)/t13-, 14+,15-,16+,17-,18-,21-/m 0/s1; WZJYVJHLXCYWFV-JBKSVKCVSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C [C@H]2C=C3; CC(C)C[C@H](NC(=O)OC[C@H]1C[ C@@H]2C[C@H]1C=C2)C(=O)N[C@@H](C[C@@H]3C CNC3=O)[C@@H](O)[S](O)(=O)=O; CC(C)C[CH] (NC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)N[CH ](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O; CC( C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)N C(=O)OCC2CC3CC2C=C3 |
(1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47980 |  Y72 CHEMBL5427804 |
7 | C20 H22 F N5 O6 S | InChI=1S/C20H22FN5O6S/c21 -14-10(9-33-16(14)18(30)2 3-12(19(31)32)4-5-13(27)2 8)3-1-2-7-26-8-6-11-15(26 )17(29)25-20(22)24-11/h6, 8-9,12H,1-5,7H2,(H,23,30) (H,27,28)(H,31,32)(H3,22, 24,25,29)/t12-/m0/s1; HPZHEVFOCGGDJM-LBPRGKRZSA-N |
NC1=Nc2ccn(CCCCc3csc(C(=O)N[CH](CCC(O)=O )C(O)=O)c3F)c2C(=O)N1; O=C(O)C(CCC(=O)O) NC(=O)c1scc(CCCCn2ccc3N=C(N)NC(=O)c32)c1 F; c1cn(c2c1N=C(NC2=O)N)CCCCc3csc(c3F)C( =O)NC(CCC(=O)O)C(=O)O; c1cn(c2c1N=C(NC2= O)N)CCCCc3csc(c3F)C(=O)N[C@@H](CCC(=O)O) C(=O)O; NC1=Nc2ccn(CCCCc3csc(C(=O)N[C@@H ](CCC(O)=O)C(O)=O)c3F)c2C(=O)N1 |
N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid |
| 47981 |  Y73 |
1 | C42 H81 N O3 | InChI=1S/C42H81NO3/c1-3-5 -7-9-11-13-15-17-18-19-20 -21-22-23-24-26-28-30-32- 34-36-38-42(46)43-40(39-4 4)41(45)37-35-33-31-29-27 -25-16-14-12-10-8-6-4-2/h 17-18,35,37,40-41,44-45H, 3-16,19-34,36,38-39H2,1-2 H3,(H,43,46)/b18-17?,37-3 5+/t40-,41-/m1/s1; VJSBNBBOSZJDKB-MHVYWWPXSA-N |
O=C(NC(CO)C(O)\C=C\CCCCCCCCCCCCC)CCCCCCC CCCCCC/C=C\CCCCCCCC; CCCCCCCCCCCCCC=CC(C (CO)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)O; CC CCCCCCCCCCC\C=C\[C@@H](O)[C@@H](CO)NC(=O )CCCCCCCCCCCCC\C=C/CCCCCCCC; CCCCCCCCCCC CC/C=C/[C@H]([C@@H](CO)NC(=O)CCCCCCCCCCC CC/C=C\CCCCCCCC)O; CCCCCCCCCCCCCC=C[CH]( O)[CH](CO)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC |
N-[(2R,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide |
| 47982 |  Y74 |
2 | C34 H39 Cl N2 O10 | InChI=1S/C34H39ClN2O10/c1 -19(29-30(47-29)21-9-6-5- 7-10-21)24-11-8-12-27(38) 37-23(16-20-13-14-25(44-4 )22(35)15-20)31(41)36-18- 34(2,3)33(43)46-26(17-28( 39)40)32(42)45-24/h5-10,1 2-15,19,23-24,26,29-30H,1 1,16-18H2,1-4H3,(H,36,41) (H,37,38)(H,39,40)/t19-,2 3+,24?,26+,29-,30?/m1/s1; GBIUNMWXQNMKGV-AUNCAALYSA-N |
CC(C1CC=CC(=O)NC(C(=O)NCC(C(=O)OC(C(=O)O 1)CC(=O)O)(C)C)Cc2ccc(c(c2)Cl)OC)C3C(O3) c4ccccc4; COc1ccc(C[C@@H]2NC(=O)\C=C/C[C @@H](OC(=O)[C@H](CC(O)=O)OC(=O)C(C)(C)CN C2=O)[C@@H](C)[C@H]3O[C@H]3c4ccccc4)cc1C l; C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(= O)NCC(C(=O)O[C@H](C(=O)O1)CC(=O)O)(C)C)C c2ccc(c(c2)Cl)OC)[C@@H]3[C@H](O3)c4ccccc 4; COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[C H](CC(O)=O)OC(=O)C(C)(C)CNC2=O)[CH](C)[C H]3O[CH]3c4ccccc4)cc1Cl |
2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid |
| 47983 |  Y75 |
3 | C41 H49 Cl N10 O3 S | InChI=1S/C41H49ClN10O3S/c 1-52-35(20-27-23-47-32-10 -3-2-9-29(27)32)39(54)50- 24-30-28(25-13-16-36(45)4 9-21-25)14-15-31(42)37(30 )56-40-26(8-7-19-46-40)22 -48-33(12-6-18-44)38(53)5 1-34(41(52)55)11-4-5-17-4 3/h2-3,7-10,13-16,19,21,2 3,33-35,47-48H,4-6,11-12, 17-18,20,22,24,43-44H2,1H 3,(H2,45,49)(H,50,54)(H,5 1,53)/t33-,34-,35-/m0/s1; BDHOZQIIBFIAMB-IMKBVMFZSA-N |
Nc1ccc(cn1)c1ccc(Cl)c2Sc3ncccc3CNC(CCCN) C(=O)NC(CCCCN)C(=O)N(C)C(Cc3c[NH]c4ccccc 43)C(=O)NCc12; CN1[CH](Cc2c[nH]c3ccccc23 )C(=O)NCc4c(Sc5ncccc5CN[CH](CCCN)C(=O)N[ CH](CCCCN)C1=O)c(Cl)ccc4c6ccc(N)nc6; CN1 [C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc4c(Sc5n cccc5CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1 =O)c(Cl)ccc4c6ccc(N)nc6; CN1C(C(=O)NCc2c (ccc(c2Sc3c(cccn3)CNC(C(=O)NC(C1=O)CCCCN )CCCN)Cl)c4ccc(nc4)N)Cc5c[nH]c6c5cccc6; CN1[C@H](C(=O)NCc2c(ccc(c2Sc3c(cccn3)CN[ C@H](C(=O)N[C@H](C1=O)CCCCN)CCCN)Cl)c4cc c(nc4)N)Cc5c[nH]c6c5cccc6 |
(7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione |
| 47984 |  Y76 |
1 | C13 H10 Cl F N4 O | InChI=1S/C13H10ClFN4O/c1- 18-11-10(6-16-12(14)17-11 )19(13(18)20)7-8-2-4-9(15 )5-3-8/h2-6H,7H2,1H3; GNALVBJBXYBBGR-UHFFFAOYSA-N |
CN1C(=O)N(Cc2ccc(F)cc2)c3cnc(Cl)nc13; CN 1c2c(cnc(n2)Cl)N(C1=O)Cc3ccc(cc3)F; Fc1c cc(cc1)CN1c2cnc(Cl)nc2N(C)C1=O |
2-chloro-7-[(4-fluorophenyl)methyl]-9-methyl-7,9-dihydro-8H-purin-8-one |
| 47985 |  Y77 |
2 | C6 H13 N3 O4 P | InChI=1S/C6H13N3O4P/c1-6( 2-4-8-9-7)3-5-13-14(10,11 )12/h3,7H,2,4-5H2,1H3,(H2 ,10,11,12)/b6-3-; SCRLLCVSAUXFQL-UTCJRWHESA-N |
C/C(=C/COP(=O)(O)O)/CCN=[N]=N; CC(=CCOP( =O)(O)O)CCN=[N]=N; C\C(CCN=[N]=N)=C\CO[P ](O)(O)=O; CC(CCN=[N]=N)=CCO[P](O)(O)=O |
[(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate |
| 47986 |  Y78 ZINC000065195827 |
3 | C17 H18 N4 O | InChI=1S/C17H18N4O/c1-11- 4-7-14(8-5-11)17-19-16(13 (3)20-21-17)18-10-15-9-6- 12(2)22-15/h4-9H,10H2,1-3 H3,(H,18,19,21); FSPDKAUYNLMGSQ-UHFFFAOYSA-N |
Cc1ccc(cc1)c2nc(c(nn2)C)NCc3ccc(o3)C; Cc 1oc(CNc2nc(nnc2C)c3ccc(C)cc3)cc1 |
6-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1,2,4-triazin-5-amine |
| 47987 |  Y79 CHEMBL5405010 |
5 | C22 H24 F N5 O6 | InChI=1S/C22H24FN5O6/c23- 14-11-12(4-5-13(14)19(31) 25-16(21(33)34)6-7-17(29) 30)3-1-2-9-28-10-8-15-18( 28)20(32)27-22(24)26-15/h 4-5,8,10-11,16H,1-3,6-7,9 H2,(H,25,31)(H,29,30)(H,3 3,34)(H3,24,26,27,32)/t16 -/m0/s1; XKLSPKTUYQAZHW-INIZCTEOSA-N |
c1cc(c(cc1CCCCn2ccc3c2C(=O)NC(=N3)N)F)C( =O)N[C@@H](CCC(=O)O)C(=O)O; NC1=Nc2ccn(C CCCc3ccc(c(F)c3)C(=O)N[CH](CCC(O)=O)C(O) =O)c2C(=O)N1; c1cc(c(cc1CCCCn2ccc3c2C(=O )NC(=N3)N)F)C(=O)NC(CCC(=O)O)C(=O)O; NC1 =Nc2ccn(CCCCc3ccc(c(F)c3)C(=O)N[C@@H](CC C(O)=O)C(O)=O)c2C(=O)N1; O=C(O)C(CCC(=O) O)NC(=O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O )c21 |
N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid |
| 47988 |  Y7A CHEMBL5990103 |
1 | C27 H33 N7 O4 | InChI=1S/C27H33N7O4/c1-32 (2)24-10-19(11-25(28-24)3 8-16-17-5-7-37-8-6-17)27( 36)34-14-20-12-33(13-21(2 0)15-34)26(35)18-3-4-22-2 3(9-18)30-31-29-22/h3-4,9 -11,17,20-21H,5-8,12-16H2 ,1-2H3,(H,29,30,31); XTVNPWUYIUFOIQ-UHFFFAOYSA-N |
CN(C)c1cc(cc(n1)OCC2CCOCC2)C(=O)N3C[C@@H ]4CN(C[C@H]4C3)C(=O)c5ccc6c(c5)nn[nH]6; CN(C)c1cc(cc(n1)OCC2CCOCC2)C(=O)N3CC4CN( CC4C3)C(=O)c5ccc6c(c5)nn[nH]6; O=C(c1ccc 2[NH]nnc2c1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2 CCOCC2)nc(c1)N(C)C; CN(C)c1cc(cc(OCC2CCO CC2)n1)C(=O)N3C[CH]4CN(C[CH]4C3)C(=O)c5c cc6[nH]nnc6c5; CN(C)c1cc(cc(OCC2CCOCC2)n 1)C(=O)N3C[C@@H]4CN(C[C@H]4C3)C(=O)c5ccc 6[nH]nnc6c5 |
[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-(dimethylamino)-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone |
| 47989 |  Y7B ZINC000096363708 |
1 | C24 H26 N4 O3 | InChI=1S/C24H26N4O3/c1-16 (29)28-9-8-23-21(15-28)20 -14-17(2-7-22(20)26-23)24 (30)25-18-3-5-19(6-4-18)2 7-10-12-31-13-11-27/h2-7, 14,26H,8-13,15H2,1H3,(H,2 5,30); SWCZIQFQNPAUEC-UHFFFAOYSA-N |
CC(=O)N1CCc2c(c3cc(ccc3[nH]2)C(=O)Nc4ccc (cc4)N5CCOCC5)C1; CC(=O)N1CCc2[nH]c3ccc( cc3c2C1)C(=O)Nc4ccc(cc4)N5CCOCC5 |
2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide |
| 47990 |  Y7C ZINC000000578793 |
1 | C11 H12 Cl N5 O | InChI=1S/C11H12ClN5O/c1-2 -6-17-11(14-15-16-17)13-1 0(18)8-4-3-5-9(12)7-8/h3- 5,7H,2,6H2,1H3,(H,13,14,1 6,18); IBRCUOMIAFDQTM-UHFFFAOYSA-N |
CCCn1c(nnn1)NC(=O)c2cccc(c2)Cl; CCCn1nnn c1NC(=O)c2cccc(Cl)c2; CCCn1nnnc1NC(=O)c1 cccc(Cl)c1 |
3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide |
| 47991 |  Y7D |
1 | C8 H18 O7 P2 | InChI=1S/C8H18O7P2/c1-3-4 -5-8(2)6-7-14-17(12,13)15 -16(9,10)11/h6H,3-5,7H2,1 -2H3,(H,12,13)(H2,9,10,11 )/b8-6-; UIWSLTUOMNESGZ-VURMDHGXSA-N |
CCCCC(=CCOP(=O)(O)OP(=O)(O)O)C; CCCC/C(= C\COP(=O)(O)OP(=O)(O)O)/C; CCCCC(/C)=C\C O[P](O)(=O)O[P](O)(O)=O; CCCCC(C)=CCO[P] (O)(=O)O[P](O)(O)=O; O=P(O)(O)OP(O)(=O)O C\C=C(\C)CCCC |
(2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate |
| 47992 |  Y7E |
1 | C26 H29 N7 O6 | InChI=1S/C26H29N7O6/c1-17 (34)30-9-11-31(12-10-30)2 0-7-8-22-21(13-20)26(37)3 2(16-28-22)15-25(36)29-23 (14-24(35)27-2)18-3-5-19( 6-4-18)33(38)39/h3-8,13,1 6,23H,9-12,14-15H2,1-2H3, (H,27,35)(H,29,36); CAJKWQNVIJCHQF-UHFFFAOYSA-N |
O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NC(CC( =O)NC)c3ccc(cc3)[N+]([O-])=O)C=Nc2cc1; C NC(=O)C[CH](NC(=O)CN1C=Nc2ccc(cc2C1=O)N3 CCN(CC3)C(C)=O)c4ccc(cc4)[N+]([O-])=O; C NC(=O)C[C@@H](NC(=O)CN1C=Nc2ccc(cc2C1=O) N3CCN(CC3)C(C)=O)c4ccc(cc4)[N+]([O-])=O; CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N(C=N3) CC(=O)N[C@H](CC(=O)NC)c4ccc(cc4)[N+](=O) [O-]; CC(=O)N1CCN(CC1)c2ccc3c(c2)C(=O)N( C=N3)CC(=O)NC(CC(=O)NC)c4ccc(cc4)[N+](=O )[O-] |
(3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide |
| 47993 |  Y7F ZINC000065196012 |
2 | C16 H13 N5 O2 S2 | InChI=1S/C16H13N5O2S2/c1- 21-11(6-7-18-21)15(22)17- 9-10-4-5-13(25-10)16-19-1 4(20-23-16)12-3-2-8-24-12 /h2-8H,9H2,1H3,(H,17,22); SIGJKWVCBZYUFS-UHFFFAOYSA-N |
Cn1nccc1C(=O)NCc2sc(cc2)c3onc(n3)c4sccc4 ; Cn1c(ccn1)C(=O)NCc2ccc(s2)c3nc(no3)c4c ccs4 |
2-methyl-~{N}-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]pyrazole-3-carboxamide |
| 47994 |  Y7G |
2 | C22 H37 N3 O8 S | InChI=1S/C22H37N3O8S/c1-1 2(2)7-17(25-22(29)33-11-1 6-9-13-3-4-14(16)8-13)20( 27)24-18(21(28)34(30,31)3 2)10-15-5-6-23-19(15)26/h 12-18,21,28H,3-11H2,1-2H3 ,(H,23,26)(H,24,27)(H,25, 29)(H,30,31,32)/t13-,14+, 15-,16+,17-,18-,21-/m0/s1; CDEICDIJDMTLMS-JBKSVKCVSA-N |
CC(C)C[C@H](NC(=O)OC[C@H]1C[C@H]2CC[C@@H ]1C2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H] (O)[S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC 1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CC3CCC2C3; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC [C@@H]2C3; CC(C)C[CH](NC(=O)OC[CH]1C[CH] 2CC[CH]1C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH] (O)[S](O)(=O)=O |
(1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 47995 |  Y7H |
20 | C18 H22 N4 O | InChI=1S/C18H22N4O/c23-18 -14-2-1-3-15-17(14)16(20- 19-15)6-9-22(18)13-10-12- 4-7-21(11-13)8-5-12/h1-3, 12-13H,4-11H2,(H,19,20)/t 13-/m0/s1; IZPGDYACPJMETA-ZDUSSCGKSA-N |
c1cc2c3c(c1)[nH]nc3CCN(C2=O)C4CC5CCN(C4) CC5; c1cc2c3c(c1)[nH]nc3CCN(C2=O)[C@H]4C C5CCN(C4)CC5; O=C1N(CCc2n[nH]c3cccc1c23) [C@H]4CC5CCN(CC5)C4; O=C1N(CCc2n[nH]c3cc cc1c23)[CH]4CC5CCN(CC5)C4; O=C1c2cccc3[N H]nc(CCN1C1CC4CCN(CC4)C1)c23 |
5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one |
| 47996 |  Y7I |
1 | C17 H20 Cl2 N2 O3 | InChI=1S/C17H20Cl2N2O3/c1 -12(22)21-10-17(11-21)2-4 -20(5-3-17)16(23)24-9-13- 6-14(18)8-15(19)7-13/h6-8 H,2-5,9-11H2,1H3; DOULUUVAOFCQSY-UHFFFAOYSA-N |
CC(=O)N1CC2(C1)CCN(CC2)C(=O)OCc3cc(cc(c3 )Cl)Cl; CC(=O)N1CC2(CCN(CC2)C(=O)OCc2cc( Cl)cc(Cl)c2)C1; CC(=O)N1CC2(CCN(CC2)C(=O )OCc3cc(Cl)cc(Cl)c3)C1 |
(3,5-dichlorophenyl)methyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate |
| 47997 |  Y7K |
2 | C22 H41 N3 O8 | InChI=1S/C22H41N3O8/c1-12 -10-21(28,11-25-7-4-13-5- 8-30-9-6-13)22(29)20(31-1 2)32-19-17(27)14(23-2)16( 26)15(24-3)18(19)33-22/h1 2-20,23-29H,4-11H2,1-3H3/ t12-,14-,15+,16+,17+,18-, 19-,20+,21-,22-/m1/s1; LKCDGONKFJKONL-WUYRLSBSSA-N |
C[C@@H]1C[C@]([C@]2([C@@H](O1)O[C@@H]3[C @H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)N C)O)O)(CNCCC4CCOCC4)O; CN[C@@H]1[C@H](O) [C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C) C[C@@]3(O)CNCCC4CCOCC4)O[C@@H]2[C@H]1O; CN[CH]1[CH](O)[CH](NC)[CH]2O[C]3(O)[CH]( O[CH](C)C[C]3(O)CNCCC4CCOCC4)O[CH]2[CH]1 O; CC1OC2OC3C(OC2(O)C(O)(CNCCC2CCOCC2)C1 )C(NC)C(O)C(NC)C3O; CC1CC(C2(C(O1)OC3C(C (C(C(C3O2)NC)O)NC)O)O)(CNCCC4CCOCC4)O |
(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol |
| 47998 |  Y7L CHEMBL5429283 |
5 | C21 H25 N5 O6 S | InChI=1S/C21H25N5O6S/c22- 21-24-13-9-11-26(17(13)19 (30)25-21)10-3-1-2-4-12-5 -7-15(33-12)18(29)23-14(2 0(31)32)6-8-16(27)28/h5,7 ,9,11,14H,1-4,6,8,10H2,(H ,23,29)(H,27,28)(H,31,32) (H3,22,24,25,30)/t14-/m0/ s1; RQAHNHUMMCUWMX-AWEZNQCLSA-N |
O=C(O)C(CCC(=O)O)NC(=O)c1ccc(CCCCCn2ccc3 N=C(N)NC(=O)c32)s1; c1cc(sc1CCCCCn2ccc3c 2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(= O)O; NC1=Nc2ccn(CCCCCc3sc(cc3)C(=O)N[CH] (CCC(O)=O)C(O)=O)c2C(=O)N1; NC1=Nc2ccn(C CCCCc3sc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)= O)c2C(=O)N1; c1cc(sc1CCCCCn2ccc3c2C(=O)N C(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O |
N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid |
| 47999 |  Y7M |
2 | C25 H41 N3 O8 S | InChI=1S/C25H41N3O8S/c1-1 4(2)5-19(22(30)27-20(23(3 1)37(33,34)35)9-18-3-4-26 -21(18)29)28-24(32)36-13- 25-10-15-6-16(11-25)8-17( 7-15)12-25/h14-20,23,31H, 3-13H2,1-2H3,(H,26,29)(H, 27,30)(H,28,32)(H,33,34,3 5)/t15-,16+,17-,18-,19-,2 0-,23-,25-/m0/s1; AFONNBAHWVWJGI-WSGOIKEKSA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O) O)NC(=O)OCC23CC4CC(C2)CC(C4)C3; CC(C)C[C @@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S( =O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3; C C(C)C[CH](NC(=O)OCC12CC3CC(CC(C3)C1)C2)C (=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O )=O; CC(C)C[C@H](NC(=O)OCC12CC3CC(CC(C3) C1)C2)C(=O)N[C@@H](C[C@@H]4CCNC4=O)[C@@H ](O)[S](O)(=O)=O |
(1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid |
| 48000 |  Y7N ZINC000095920886 |
4 | C24 H26 N2 O5 | InChI=1S/C24H26N2O5/c25-1 1-5-1-2-8-21(27)26-19-13- 15-6-3-4-7-17(15)18(19)12 -16-9-10-20-23(31-14-30-2 0)22(16)24(28)29/h3-4,6-7 ,9-10,12,19H,1-2,5,8,11,1 3-14,25H2,(H,26,27)(H,28, 29)/b18-12+/t19-/m0/s1; FRMVVXQYUFKPPV-GQEMFKIVSA-N |
NCCCCCC(=O)N[CH]1Cc2ccccc2C1=Cc3ccc4OCOc 4c3C(O)=O; c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C (=O)O)OCO4)NC(=O)CCCCCN; NCCCCCC(=O)N[C@ H]1Cc2ccccc2\C1=C/c3ccc4OCOc4c3C(O)=O; c 1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O) O)OCO4)NC(=O)CCCCCN; O=C(NC2C(/c1ccccc1C 2)=C/c3ccc4OCOc4c3C(=O)O)CCCCCN |
5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid |