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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 38601 | QMJ CHEMBL52030 ZINC000002584032 |
10 | C18 H19 N3 O4 | InChI=1S/C18H19N3O4/c1-3- 25-18(23)15-16-14-5-4-8-2 0(14)17(22)12-9-11(24-2)6 -7-13(12)21(16)10-19-15/h 6-7,9-10,14H,3-5,8H2,1-2H 3/t14-/m0/s1; YKYOQIXTECBVBB-AWEZNQCLSA-N |
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N4C2CCC 4)OC; CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N 4[C@H]2CCC4)OC; CCOC(=O)c1ncn2c3ccc(OC)c c3C(=O)N4CCC[CH]4c12; CCOC(=O)c1ncn2c3cc c(OC)cc3C(=O)N4CCC[C@H]4c12 |
ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate |
| 38602 | QMK | 1 | C11 H19 N4 O8 P | InChI=1S/C11H19N4O8P/c1-6 (16)12-3-2-7-4-15(14-13-7 )11-10(18)9(17)8(23-11)5- 22-24(19,20)21/h4,8-11,17 -18H,2-3,5H2,1H3,(H,12,16 )(H2,19,20,21)/t8-,9-,10- ,11-/m1/s1; KBIJUYSCKWPFAX-GWOFURMSSA-N |
CC(=O)NCCc1cn(nn1)[CH]2O[CH](CO[P](O)(O) =O)[CH](O)[CH]2O; CC(=O)NCCc1cn(nn1)C2C( C(C(O2)COP(=O)(O)O)O)O; CC(=O)NCCc1cn(nn 1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O )O)O)O; CC(=O)NCCc1cn(nn1)[C@@H]2O[C@H]( CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
~{N}-[2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide |
| 38603 | QML | 2 | C21 H17 Cl N2 O3 | InChI=1S/C21H17ClN2O3/c1- 2-20(25)24(18-11-23-10-13 -5-3-4-6-15(13)18)21(26)1 7-12-27-19-8-7-14(22)9-16 (17)19/h3-11,17H,2,12H2,1 H3/t17-/m1/s1; PKWRGHQHQAGUOY-QGZVFWFLSA-N |
CCC(=O)N(c1cncc2ccccc21)C(=O)C1COc2ccc(C l)cc21; CCC(=O)N(C(=O)[CH]1COc2ccc(Cl)cc 12)c3cncc4ccccc34; CCC(=O)N(c1cncc2c1ccc c2)C(=O)[C@@H]3COc4c3cc(cc4)Cl; CCC(=O)N (C(=O)[C@@H]1COc2ccc(Cl)cc12)c3cncc4cccc c34; CCC(=O)N(c1cncc2c1cccc2)C(=O)C3COc4 c3cc(cc4)Cl |
(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide |
| 38604 | QMM ZINC000032151080 |
0 | C7 H14 N2 O3 | InChI=1S/C7H14N2O3/c1-9(2 )6(10)4-3-5(8)7(11)12/h5H ,3-4,8H2,1-2H3,(H,11,12)/ t5-/m0/s1; SMWQVIPJGSEJPA-YFKPBYRVSA-N |
CN(C)C(=O)CC[C@@H](C(=O)O)N; CN(C)C(=O)C C[CH](N)C(O)=O; CN(C)C(=O)CCC(C(=O)O)N; O=C(N(C)C)CCC(N)C(=O)O; CN(C)C(=O)CC[C@H ](N)C(O)=O |
N,N-dimethyl-L-glutamine |
| 38605 | QMN CHEMBL3393498 |
2 | C27 H24 N4 O4 | InChI=1S/C27H24N4O4/c1-2- 34-26(33)25-24-17(14-28-2 5)22(23-20(29-24)11-6-12- 21(23)32)15-7-5-8-16(13-1 5)35-27-30-18-9-3-4-10-19 (18)31-27/h3-5,7-10,13-14 ,22,28-29H,2,6,11-12H2,1H 3,(H,30,31)/t22-/m0/s1; YXMQIWJYPNBZJS-QFIPXVFZSA-N |
O=C(OCC)c3c2NC1=C(C(=O)CCC1)C(c2cn3)c6cc (Oc5nc4ccccc4n5)ccc6; CCOC(=O)c1[nH]cc2[ CH](c3cccc(Oc4[nH]c5ccccc5n4)c3)C6=C(CCC C6=O)Nc12; CCOC(=O)c1[nH]cc2[C@H](c3cccc (Oc4[nH]c5ccccc5n4)c3)C6=C(CCCC6=O)Nc12; CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCC C3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5; CCOC(= O)c1c2c(c[nH]1)C(C3=C(N2)CCCC3=O)c4cccc( c4)Oc5[nH]c6ccccc6n5 |
ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate |
| 38606 | QMO | 1 | C21 H23 N3 O5 | InChI=1S/C21H23N3O5/c1-11 (2)22-21(29)23-13-8-6-12( 7-9-13)19(26)24-18-14-4-3 -5-17(25)15(14)10-16(18)2 0(27)28/h3-9,11,16,18,25H ,10H2,1-2H3,(H,24,26)(H,2 7,28)(H2,22,23,29)/t16-,1 8+/m1/s1; GNIIMSGFFQRDIB-AEFFLSMTSA-N |
CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC2c3cccc(c3C C2C(=O)O)O; CC(C)NC(=O)Nc1ccc(cc1)C(=O)N [C@H]2c3cccc(c3C[C@H]2C(=O)O)O; CC(C)NC( =O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O)ccc c23)C(O)=O; CC(C)NC(=O)Nc1ccc(cc1)C(=O)N [C@@H]2[C@@H](Cc3c(O)cccc23)C(O)=O; CC(C )NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1 C(=O)O |
(1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38607 | QMP ZINC000006068355 |
4 | C7 H15 O3 P | InChI=1S/C7H15O3P/c1-11(8 ,9)10-7-5-3-2-4-6-7/h7H,2 -6H2,1H3,(H,8,9); SWYGLBJVTQMYSE-UHFFFAOYSA-N |
CP(=O)(O)OC1CCCCC1; O=P(O)(OC1CCCCC1)C; C[P](O)(=O)OC1CCCCC1 |
cyclohexyl methylphosphonate |
| 38608 | QMQ CHEMBL1963071 ZINC000073279489 |
2 | C30 H34 N7 | InChI=1S/C30H34N7/c1-35(2 )27-15-17-36(18-16-27)19- 25-11-7-23(8-12-25)5-3-4- 6-24-9-13-26(14-10-24)20- 37-22-34-28-29(31)32-21-3 3-30(28)37/h7-18,21-22H,3 -6,19-20H2,1-2H3,(H2,31,3 2,33)/q+1; NKYSQEHAAOKBTL-UHFFFAOYSA-N |
CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(c c3)Cn4cnc5c4ncnc5N; n1c(c2ncn(c2nc1)Cc3c cc(cc3)CCCCc4ccc(cc4)C[n+]5ccc(N(C)C)cc5 )N; CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(Cn4cn c5c(N)ncnc45)cc3)cc2)cc1 |
1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium |
| 38609 | QMR CHEMBL1076903 ZINC000001481833 |
35 | C13 H13 N3 | InChI=1S/C13H13N3/c1-2-16 -13-5-11-9-3-8(6-14-7-9)1 0(11)4-12(13)15-1/h1-2,4- 5,8-9,14H,3,6-7H2/t8-,9+; JQSHBVHOMNKWFT-DTORHVGOSA-N |
c1cnc2cc3c(cc2n1)C4CC3CNC4; n1c2cc3c(cc2 ncc1)C4CNCC3C4; C1NC[CH]2C[CH]1c3cc4nccn c4cc23; C1NC[C@@H]2C[C@H]1c3cc4nccnc4cc2 3; c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4 |
VARENICLINE |
| 38610 | QMS CHEMBL1235568 DB08451 ZINC000000287668 |
3 | C10 H10 N2 O2 S | InChI=1S/C10H10N2O2S/c1-1 5(13,14)12-9-6-2-4-8-5-3- 7-11-10(8)9/h2-7,12H,1H3; XYEPUTZVZYUENX-UHFFFAOYSA-N |
C[S](=O)(=O)Nc1cccc2cccnc12; CS(=O)(=O)N c1cccc2c1nccc2; O=S(=O)(Nc1cccc2cccnc12) C |
N-(QUINOLIN-8-YL)METHANESULFONAMIDE |
| 38611 | QMT CHEMBL4753080 |
2 | C21 H22 N4 O2 | InChI=1S/C21H22N4O2/c22-2 1-19(13-18(23-24-21)17-10 -4-5-11-20(17)26)25-12-6- 9-16(14-25)27-15-7-2-1-3- 8-15/h1-5,7-8,10-11,13,16 ,26H,6,9,12,14H2,(H2,22,2 4)/t16-/m1/s1; JOLHNCATQIAQLA-MRXNPFEDSA-N |
Nc1nnc(cc1N2CCC[CH](C2)Oc3ccccc3)c4ccccc 4O; c1ccc(cc1)O[C@@H]2CCCN(C2)c3cc(nnc3N )c4ccccc4O; c1ccc(cc1)OC2CCCN(C2)c3cc(nn c3N)c4ccccc4O; Nc1nnc(cc1N2CCC[C@H](C2)O c3ccccc3)c4ccccc4O |
2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol; MW278 |
| 38612 | QMU CHEMBL366947 DB21038 ZINC000000597316 |
10 | C19 H20 Br N3 O3 | InChI=1S/C19H20BrN3O3/c1- 19(2,3)26-18(25)15-16-13- 8-5-9-22(13)17(24)14-11(2 0)6-4-7-12(14)23(16)10-21 -15/h4,6-7,10,13H,5,8-9H2 ,1-3H3/t13-/m0/s1; LWUDDYHYYNNIQI-ZDUSSCGKSA-N |
CC(C)(C)OC(=O)c1c2n(cn1)-c3cccc(c3C(=O)N 4C2CCC4)Br; CC(C)(C)OC(=O)c1ncn2c3cccc(B r)c3C(=O)N4CCC[CH]4c12; CC(C)(C)OC(=O)c1 ncn2c3cccc(Br)c3C(=O)N4CCC[C@H]4c12; CC( C)(C)OC(=O)c1c2n(cn1)-c3cccc(c3C(=O)N4[C @H]2CCC4)Br |
Bretazenil; ~{tert}-butyl (7~{S})-14-bromanyl-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate |
| 38613 | QMV CHEMBL4514379 |
1 | C18 H12 Cl F N6 O | InChI=1S/C18H12ClFN6O/c19 -13-7-11(1-2-14(13)20)17- 18(25(5-6-27)10-23-17)15- 3-4-16-22-9-12(8-21)26(16 )24-15/h1-4,7,9-10,27H,5- 6H2; VZZBCNXVZFAIQX-UHFFFAOYSA-N |
c1(c(cc(cc1)c4c(c3ccc2n(c(cn2)C#N)n3)n(c n4)CCO)Cl)F; c1cc(c(cc1c2c(n(cn2)CCO)c3c cc4ncc(n4n3)C#N)Cl)F; OCCn1cnc(c2ccc(F)c (Cl)c2)c1c3ccc4ncc(C#N)n4n3 |
6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile |
| 38614 | QMW CHEMBL4793170 |
1 | C15 H18 N4 O2 | InChI=1S/C15H18N4O2/c16-1 5-13(19-7-5-10(20)6-8-19) 9-12(17-18-15)11-3-1-2-4- 14(11)21/h1-4,9-10,20-21H ,5-8H2,(H2,16,18); IYHIMSKJSRZGKN-UHFFFAOYSA-N |
Nc1nnc(cc1N2CCC(O)CC2)c3ccccc3O; c1ccc(c (c1)c2cc(c(nn2)N)N3CCC(CC3)O)O |
1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol; DP28 |
| 38615 | QMX | 2 | C25 H24 Cl N5 O2 | InChI=1S/C25H24ClN5O2/c1- 31-10-8-19(30-31)14-28-16 -25(9-11-33-23-7-6-18(26) 12-21(23)25)24(32)29-22-1 5-27-13-17-4-2-3-5-20(17) 22/h2-8,10,12-13,15,28H,9 ,11,14,16H2,1H3,(H,29,32) /t25-/m0/s1; ZITSXTKDCXOESQ-VWLOTQADSA-N |
Cn1ccc(n1)CNC[C@]2(CCOc3c2cc(cc3)Cl)C(=O )Nc4cncc5c4cccc5; Cn1ccc(n1)CNCC2(CCOc3c 2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5; Cn1ccc( n1)CNCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2c cccc21; Cn1ccc(CNC[C]2(CCOc3ccc(Cl)cc23) C(=O)Nc4cncc5ccccc45)n1; Cn1ccc(CNC[C@]2 (CCOc3ccc(Cl)cc23)C(=O)Nc4cncc5ccccc45)n 1 |
(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38616 | QMY CHEMBL4458215 |
1 | C18 H15 F2 N5 | InChI=1S/C18H15F2N5/c1-12 -3-2-4-14(23-12)17-18(25( 11-22-17)10-15(19)20)13-5 -6-16-21-7-8-24(16)9-13/h 2-9,11,15H,10H2,1H3; WLMJUROXDOGLTR-UHFFFAOYSA-N |
Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c 3; C(C(F)F)n3c(c1ccc2n(c1)ccn2)c(nc3)c4c ccc(C)n4; Cc1cccc(n1)c2ncn(CC(F)F)c2c3cc c4nccn4c3 |
6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine |
| 38617 | QMZ ZINC000012118845 |
2 | C20 H23 N5 O4 | InChI=1S/C20H23N5O4/c1-27 -16-9-14(10-17(28-2)18(16 )29-3)19(26)24-8-4-5-13(1 1-24)15-6-7-21-20-22-12-2 3-25(15)20/h6-7,9-10,12-1 3H,4-5,8,11H2,1-3H3/t13-/ m0/s1; QRHYHQMFAMRYKQ-ZDUSSCGKSA-N |
COc1cc(cc(OC)c1OC)C(=O)N2CCC[CH](C2)c3cc nc4ncnn34; COc1cc(cc(OC)c1OC)C(=O)N2CCC[ C@@H](C2)c3ccnc4ncnn34; COc1cc(cc(c1OC)O C)C(=O)N2CCCC(C2)c3ccnc4n3ncn4; COc1cc(c c(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3n cn4 |
[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone |
| 38618 | QN0 | 1 | C21 H23 N3 O5 | InChI=1S/C21H23N3O5/c1-11 (2)22-21(29)23-13-8-6-12( 7-9-13)19(26)24-18-14-4-3 -5-17(25)15(14)10-16(18)2 0(27)28/h3-9,11,16,18,25H ,10H2,1-2H3,(H,24,26)(H,2 7,28)(H2,22,23,29)/t16-,1 8+/m0/s1; GNIIMSGFFQRDIB-FUHWJXTLSA-N |
CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC2c3cccc(c3C C2C(=O)O)O; CC(C)NC(=O)Nc1ccc(cc1)C(=O)N [C@H]2[C@H](Cc3c(O)cccc23)C(O)=O; CC(C)N C(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O)c ccc23)C(O)=O; CC(C)NC(=O)Nc1ccc(cc1)C(=O )NC1c2cccc(O)c2CC1C(=O)O; CC(C)NC(=O)Nc1 ccc(cc1)C(=O)N[C@@H]2c3cccc(c3C[C@@H]2C( =O)O)O |
(1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38619 | QN1 CHEMBL1196544 ZINC000095543867 |
2 | C34 H31 F6 N5 O6 S2 | InChI=1S/C34H31F6N5O6S2/c 35-33(36,37)25-9-1-21(2-1 0-25)19-44(52(48,49)27-13 -5-23(6-14-27)31(41)46)29 -17-43-18-30(29)45(20-22- 3-11-26(12-4-22)34(38,39) 40)53(50,51)28-15-7-24(8- 16-28)32(42)47/h1-16,29-3 0,43H,17-20H2,(H2,41,46)( H2,42,47)/t29-,30-/m0/s1; QVMBQAVVCRRZFT-KYJUHHDHSA-N |
NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccc(cc2) C(F)(F)F)[CH]3CNC[CH]3N(Cc4ccc(cc4)C(F)( F)F)[S](=O)(=O)c5ccc(cc5)C(N)=O; O=S(=O) (N(C3C(N(Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c2 ccc(C(=O)N)cc2)CNC3)Cc4ccc(cc4)C(F)(F)F) c5ccc(C(=O)N)cc5; NC(=O)c1ccc(cc1)[S](=O )(=O)N(Cc2ccc(cc2)C(F)(F)F)[C@H]3CNC[C@@ H]3N(Cc4ccc(cc4)C(F)(F)F)[S](=O)(=O)c5cc c(cc5)C(N)=O; c1cc(ccc1CN([C@H]2CNC[C@@H ]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(c c4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F) (F)F; c1cc(ccc1CN(C2CNCC2N(Cc3ccc(cc3)C( F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(= O)c5ccc(cc5)C(=O)N)C(F)(F)F |
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide |
| 38620 | QN2 CHEMBL1196708 ZINC000095543484 |
2 | C30 H29 I2 N3 O4 S2 | InChI=1S/C30H29I2N3O4S2/c 31-25-15-11-23(12-16-25)2 1-34(40(36,37)27-7-3-1-4- 8-27)29-19-33-20-30(29)35 (22-24-13-17-26(32)18-14- 24)41(38,39)28-9-5-2-6-10 -28/h1-18,29-30,33H,19-22 H2/t29-,30-/m0/s1; ALNICVDMFYPVLU-KYJUHHDHSA-N |
c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)[C@H]3 CNC[C@@H]3N(Cc4ccc(cc4)I)S(=O)(=O)c5cccc c5; O=S(=O)(N(C3C(N(Cc1ccc(I)cc1)S(=O)(= O)c2ccccc2)CNC3)Cc4ccc(I)cc4)c5ccccc5; I c1ccc(CN([CH]2CNC[CH]2N(Cc3ccc(I)cc3)[S] (=O)(=O)c4ccccc4)[S](=O)(=O)c5ccccc5)cc1 ; Ic1ccc(CN([C@H]2CNC[C@@H]2N(Cc3ccc(I)c c3)[S](=O)(=O)c4ccccc4)[S](=O)(=O)c5cccc c5)cc1; c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2) I)C3CNCC3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc 5 |
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide] |
| 38621 | QN3 CHEMBL1189750 ZINC000095543548 |
2 | C30 H29 Cl2 N3 O4 S2 | InChI=1S/C30H29Cl2N3O4S2/ c31-25-15-7-9-17-29(25)40 (36,37)34(21-23-11-3-1-4- 12-23)27-19-33-20-28(27)3 5(22-24-13-5-2-6-14-24)41 (38,39)30-18-10-8-16-26(3 0)32/h1-18,27-28,33H,19-2 2H2/t27-,28-/m0/s1; LCDFLCDWPLFFSC-NSOVKSMOSA-N |
Clc1ccccc1[S](=O)(=O)N(Cc2ccccc2)[CH]3CN C[CH]3N(Cc4ccccc4)[S](=O)(=O)c5ccccc5Cl; Clc1ccccc1[S](=O)(=O)N(Cc2ccccc2)[C@H]3 CNC[C@@H]3N(Cc4ccccc4)[S](=O)(=O)c5ccccc 5Cl; c1ccc(cc1)CN(C2CNCC2N(Cc3ccccc3)S(= O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl; O= S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc 2Cl)CNC3)Cc4ccccc4)c5ccccc5Cl; c1ccc(cc1 )CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O )c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl |
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide) |
| 38622 | QN4 | 1 | C13 H13 Cl N4 O4 S | InChI=1S/C13H13ClN4O4S/c1 -8-2-3-9(6-11(8)23(15,21) 22)17-12(19)7-18-13(20)10 (14)4-5-16-18/h2-6H,7H2,1 H3,(H,17,19)(H2,15,21,22); SJCYOELGOMZSNG-UHFFFAOYSA-N |
Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC =N2)Cl; Cc1ccc(NC(=O)CN2N=CC=C(Cl)C2=O)c c1[S](N)(=O)=O; C=2C=NN(CC(Nc1ccc(c(c1)S (N)(=O)=O)C)=O)C(C=2Cl)=O |
2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide |
| 38623 | QN5 CHEMBL312858 ZINC000000245044 |
1 | C11 H11 N O2 | InChI=1S/C11H11NO2/c1-7-9 (6-11(13)14)8-4-2-3-5-10( 8)12-7/h2-5,12H,6H2,1H3,( H,13,14); QJNNHJVSQUUHHE-UHFFFAOYSA-N |
Cc1c(c2ccccc2[nH]1)CC(=O)O; Cc1[nH]c2ccc cc2c1CC(O)=O |
2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid; 2-Methylindole-3-acetic acid |
| 38624 | QN6 | 1 | C21 H25 N5 | InChI=1S/C21H25N5/c1-14(2 )13-17-16-11-7-4-8-12-18( 16)22-20(15-9-5-3-6-10-15 )19(17)21-23-25-26-24-21/ h3,5-6,9-10,14H,4,7-8,11- 13H2,1-2H3,(H,23,24,25,26 ); SNCJTVVWAYOASG-UHFFFAOYSA-N |
CC(C)Cc1c(c(nc2CCCCCc21)c1ccccc1)c1nnn[N H]1; CC(C)Cc1c2CCCCCc2nc(c3ccccc3)c1c4[n H]nnn4; CC(C)Cc1c2c(nc(c1c3[nH]nnn3)c4cc ccc4)CCCCC2 |
(3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
| 38625 | QN7 CHEMBL3260842 ZINC000073294933 |
1 | C24 H20 F3 N5 O | InChI=1S/C24H20F3N5O/c1-3 3-19-7-3-6-18(20(19)25)15 -4-2-5-17(12-15)24(16-8-1 0-29-11-9-16)21-30-13-23( 26,27)14-32(21)22(28)31-2 4/h2-12H,13-14H2,1H3,(H2, 28,31)/t24-/m1/s1; RECVUKARQVUVBY-XMMPIXPASA-N |
COc1cccc(c1F)c2cccc(c2)[C@@]3(C4=NCC(CN4 C(=N3)N)(F)F)c5ccncc5; Fc1c(OC)cccc1c2cc cc(c2)C4(N=C(N)N3C4=NCC(F)(F)C3)c5ccncc5 ; COc1cccc(c1F)c2cccc(c2)[C]3(N=C(N)N4CC (F)(F)CN=C34)c5ccncc5; COc1cccc(c1F)c2cc cc(c2)C3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5 ; COc1cccc(c1F)c2cccc(c2)[C@]3(N=C(N)N4C C(F)(F)CN=C34)c5ccncc5 |
(8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE |
| 38626 | QN8 ZINC000039217045 |
26 | C8 H13 N O | InChI=1S/C8H13NO/c1-6-8(1 0)7-2-4-9(6)5-3-7/h6-7H,2 -5H2,1H3/t6-/m1/s1; LGOHLIRGPFPGKT-ZCFIWIBFSA-N |
C[CH]1N2CCC(CC2)C1=O; CC1C(=O)C2CCN1CC2; C[C@@H]1C(=O)C2CCN1CC2; C[C@H]1N2CCC(CC 2)C1=O |
(2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one |
| 38627 | QN9 | 1 | C28 H31 Cl N4 O4 | InChI=1S/C28H31ClN4O4/c29 -21-6-7-25-23(16-21)28(8- 15-37-25,17-26(35)33-12-1 0-32(11-13-33)9-3-14-34)2 7(36)31-24-19-30-18-20-4- 1-2-5-22(20)24/h1-2,4-7,1 6,18-19,34H,3,8-15,17H2,( H,31,36)/t28-/m0/s1; WROWCVDJFRRWBJ-NDEPHWFRSA-N |
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(c c4)Cl)CC(=O)N5CCN(CC5)CCCO; c1ccc2c(c1)c ncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC N(CC5)CCCO; OCCCN1CCN(CC1)C(=O)C[C]2(CCO c3ccc(Cl)cc23)C(=O)Nc4cncc5ccccc45; OCCC N1CCN(CC1)C(=O)C[C@]2(CCOc3ccc(Cl)cc23)C (=O)Nc4cncc5ccccc45; OCCCN1CCN(CC1)C(=O) CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc2 1 |
(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38628 | QNA | 4 | C10 H9 B F O5 | InChI=1S/C10H9BFO5/c12-7- 2-1-4-5-3-6(5)11(15,16)17 -9(4)8(7)10(13)14/h1-2,5- 6,15-16H,3H2,(H,13,14)/q- 1/t5-,6-/m1/s1; RYSXSDTTWIWNFW-PHDIDXHHSA-N |
OC(=O)c1c(F)ccc2[C@H]3C[C@H]3[B-](O)(O)O c12; [B-]1(C2CC2c3ccc(c(c3O1)C(=O)O)F)(O )O; OC(=O)c1c(F)ccc2[CH]3C[CH]3[B-](O)(O )Oc12; [B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1 )C(=O)O)F)(O)O |
(1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid |
| 38629 | QNB CHEMBL558910 ZINC000000057478 |
2 | C21 H23 N O3 | InChI=1S/C21H23NO3/c23-20 (25-19-15-22-13-11-16(19) 12-14-22)21(24,17-7-3-1-4 -8-17)18-9-5-2-6-10-18/h1 -10,16,19,24H,11-15H2/t19 -/m0/s1; HGMITUYOCPPQLE-IBGZPJMESA-N |
c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3CN4CCC 3CC4)O; O=C(OC2C1CCN(CC1)C2)C(O)(c3ccccc 3)c4ccccc4; c1ccc(cc1)C(c2ccccc2)(C(=O)O C3CN4CCC3CC4)O; OC(C(=O)O[CH]1CN2CCC1CC2 )(c3ccccc3)c4ccccc4; OC(C(=O)O[C@H]1CN2C CC1CC2)(c3ccccc3)c4ccccc4 |
(3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate |
| 38630 | QNC CHEMBL1160559 DB02428 ZINC000000084153 |
11 | C10 H7 N O2 | InChI=1S/C10H7NO2/c12-10( 13)9-6-5-7-3-1-2-4-8(7)11 -9/h1-6H,(H,12,13); LOAUVZALPPNFOQ-UHFFFAOYSA-N |
O=C(O)c1nc2ccccc2cc1; OC(=O)c1ccc2ccccc2 n1; c1ccc2c(c1)ccc(n2)C(=O)O |
quinoline-2-carboxylic acid |
| 38631 | QND CHEMBL1160559 DB02428 |
0 | C10 H7 N O2 | InChI=1S/C10H7NO2/c12-10( 13)9-6-5-7-3-1-2-4-8(7)11 -9/h1-6H,(H,12,13); LOAUVZALPPNFOQ-UHFFFAOYSA-N |
O=C(O)c1nc2ccccc2cc1; OC(=O)c1ccc2ccccc2 n1; c1ccc2c(c1)ccc(n2)C(=O)O |
QUINALDIC ACID |
| 38632 | QNE CHEMBL4742862 |
2 | C28 H35 F2 N5 O | InChI=1S/C28H35F2N5O/c1-1 8-12-23-21(6-7-25-24(23)1 4-31-33-25)27(35(18)17-28 (30)8-9-28)22-5-4-19(13-2 6(22)36-2)32-20-15-34(16- 20)11-3-10-29/h4-7,13-14, 18,20,27,32H,3,8-12,15-17 H2,1-2H3,(H,31,33)/t18-,2 7+/m1/s1; YZMMWVWLDOCLCK-CLYVBNDRSA-N |
COc1cc(NC2CN(CCCF)C2)ccc1[CH]3N(CC4(F)CC 4)[CH](C)Cc5c3ccc6n[nH]cc56; CC1Cc2c(ccc 3c2c[nH]n3)C(N1CC4(CC4)F)c5ccc(cc5OC)NC6 CN(C6)CCCF; C[C@@H]1Cc2c(ccc3c2c[nH]n3)[ C@H](N1CC4(CC4)F)c5ccc(cc5OC)NC6CN(C6)CC CF; COc1cc(NC2CN(CCCF)C2)ccc1[C@H]3N(CC4 (F)CC4)[C@H](C)Cc5c3ccc6n[nH]cc56 |
~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine |
| 38633 | QNF | 1 | C19 H16 N2 O6 | InChI=1S/C19H16N2O6/c22-1 4-3-1-2-10-11(14)7-12(19( 25)26)17(10)21-18(24)9-4- 5-13-15(6-9)27-8-16(23)20 -13/h1-6,12,17,22H,7-8H2, (H,20,23)(H,21,24)(H,25,2 6)/t12-,17+/m1/s1; NPDVANGOGQJPGW-PXAZEXFGSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)OCC( =O)N4)C(=O)O; OC(=O)[C@@H]1Cc2c(O)cccc2[ C@@H]1NC(=O)c3ccc4NC(=O)COc4c3; OC(=O)[C H]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4NC(=O)CO c4c3; O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2 NC(=O)COc2c1; c1cc2c(c(c1)O)C[C@H]([C@H] 2NC(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)O |
(1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38634 | QNG CHEMBL4594438 DB15673 |
118 | C39 H32 Cl F10 N7 O5 S2 | InChI=1S/C39H32ClF10N7O5S 2/c1-36(2,63(3,59)60)10-9 -21-5-6-22(23-7-8-26(40)3 0-32(23)57(17-37(43,44)45 )54-35(30)55-64(4,61)62)3 1(51-21)27(13-18-11-19(41 )14-20(42)12-18)52-28(58) 16-56-34-29(33(53-56)39(4 8,49)50)24-15-25(24)38(34 ,46)47/h5-8,11-12,14,24-2 5,27H,13,15-17H2,1-4H3,(H ,52,58)(H,54,55)/t24-,25+ ,27-/m0/s1; BRYXUCLEHAUSDY-WEWMWRJBSA-N |
C(Cc1cc(F)cc(c1)F)(c2nc(ccc2c3ccc(c4c3n( CC(F)(F)F)nc4NS(C)(=O)=O)Cl)C#CC(S(C)(=O )=O)(C)C)NC(=O)Cn5c6c(c(n5)C(F)(F)F)C7C( C6(F)F)C7; CC(C)(C#Cc1ccc(c(n1)[CH](Cc2c c(F)cc(F)c2)NC(=O)Cn3nc(c4[CH]5C[CH]5C(F )(F)c34)C(F)(F)F)c6ccc(Cl)c7c(N[S](C)(=O )=O)nn(CC(F)(F)F)c67)[S](C)(=O)=O; CC(C) (C#Cc1ccc(c(n1)[C@H](Cc2cc(F)cc(F)c2)NC( =O)Cn3nc(c4[C@H]5C[C@H]5C(F)(F)c34)C(F)( F)F)c6ccc(Cl)c7c(N[S](C)(=O)=O)nn(CC(F)( F)F)c67)[S](C)(=O)=O; CC(C)(C#Cc1ccc(c(n 1)C(Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C( F)(F)F)C5CC5C4(F)F)c6ccc(c7c6n(nc7NS(=O) (=O)C)CC(F)(F)F)Cl)S(=O)(=O)C; CC(C)(C#C c1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)C n3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F) c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl) S(=O)(=O)C |
Lenacapavir; Sunlenca; GS-CA1; GS-6207 |
| 38635 | QNH | 2 | C24 H29 F3 N6 | InChI=1S/C24H29F3N6/c1-3- 8-32-12-17(13-32)30-16-4- 6-22(28-10-16)23-18-5-7-2 1-20(11-29-31-21)19(18)9- 15(2)33(23)14-24(25,26)27 /h4-7,10-11,15,17,23,30H, 3,8-9,12-14H2,1-2H3,(H,29 ,31)/t15-,23+/m1/s1; FWSFTJSCWGLGOE-CMJOXMDJSA-N |
CCCN1CC(C1)Nc2ccc(nc2)[CH]3N(CC(F)(F)F)[ CH](C)Cc4c3ccc5[nH]ncc45; CCCN1CC(C1)Nc2 ccc(nc2)[C@H]3N(CC(F)(F)F)[C@H](C)Cc4c3c cc5[nH]ncc45; CCCN1CC(C1)Nc2ccc(nc2)[C@@ H]3c4ccc5c(c4C[C@H](N3CC(F)(F)F)C)cn[nH] 5; CCCN1CC(C1)Nc2ccc(nc2)C3c4ccc5c(c4CC( N3CC(F)(F)F)C)cn[nH]5 |
6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine |
| 38636 | QNI CHEMBL2420913 ZINC000095920629 |
1 | C14 H20 N6 | InChI=1S/C14H20N6/c1-2-14 (3-5-15-6-4-14)8-20(7-1)1 3-11-12(17-9-16-11)18-10- 19-13/h9-10,15H,1-8H2,(H, 16,17,18,19); NQWBGODZSPAAMM-UHFFFAOYSA-N |
n4c1c(ncnc1N3CCCC2(CCNCC2)C3)nc4; c1[nH] c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4; C1CN(CC 2(C1)CCNCC2)c3ncnc4[nH]cnc34 |
6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE |
| 38637 | QNJ CHEMBL2048325 ZINC000004404494 |
5 | C27 H48 O | InChI=1S/C27H48O/c1-18(2) 7-6-8-19(3)23-11-12-24-22 -10-9-20-17-21(28)13-15-2 6(20,4)25(22)14-16-27(23, 24)5/h18-25,28H,6-17H2,1- 5H3/t19-,20-,21+,22+,23-, 24+,25+,26+,27-/m1/s1; QYIXCDOBOSTCEI-NWKZBHTNSA-N |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC [C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]1 2C; C[C@H](CCCC(C)C)[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(C)CCCC(C)C1CCC2C1(CCC3C2CCC 4C3(CCC(C4)O)C)C; CC(C)CCC[CH](C)[CH]1CC [CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3C C[C]12C; C1C3(C(CC(C1)O)CCC2C4C(CCC23)(C )C(CC4)C(CCCC(C)C)C)C |
(3beta,5beta,14beta,17alpha)-cholestan-3-ol |
| 38638 | QNK CHEMBL4759607 |
2 | C26 H32 F2 N6 | InChI=1S/C26H32F2N6/c1-17 -11-21-20(4-6-23-22(21)13 -30-32-23)25(34(17)16-26( 28)7-8-26)24-5-3-18(12-29 -24)31-19-14-33(15-19)10- 2-9-27/h3-6,12-13,17,19,2 5,31H,2,7-11,14-16H2,1H3, (H,30,32)/t17-,25+/m1/s1; PHBYNJGKPFJBPE-NSYGIPOTSA-N |
C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(C C4)F)c5ccc(cn5)NC6CN(C6)CCCF; C[C@@H]1Cc 2c(ccc3n[nH]cc23)[C@H](N1CC4(F)CC4)c5ccc (NC6CN(CCCF)C6)cn5; CC1Cc2c(ccc3c2c[nH]n 3)C(N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF; C[CH]1Cc2c(ccc3n[nH]cc23)[CH](N1CC4(F)C C4)c5ccc(NC6CN(CCCF)C6)cn5 |
6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine |
| 38639 | QNL | 4 | C16 H18 N2 O3 | InChI=1S/C16H18N2O3/c1-10 (2)9-21-15-7-12(8-19)18-1 6-13(15)5-4-6-14(16)17-11 (3)20/h4-8,10H,9H2,1-3H3, (H,17,20); BLUSXJLREUZROL-UHFFFAOYSA-N |
CC(C)COc1cc(C=O)nc2c(NC(C)=O)cccc12; CC( C)COc1cc(nc2c1cccc2NC(=O)C)C=O |
~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide |
| 38640 | QNM ZINC000034875820 |
1 | C13 H12 N2 O5 | InChI=1S/C13H12N2O5/c1-15 -8-5-3-2-4-7(8)11(18)10(1 3(15)20)12(19)14-6-9(16)1 7/h2-5,20H,6H2,1H3,(H,14, 19)(H,16,17); CRTHWBYRFGFTNO-UHFFFAOYSA-N |
O=C(O)CNC(=O)C=2C(=O)c1c(cccc1)N(C=2O)C; CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O; C N1C(=C(C(=O)NCC(O)=O)C(=O)c2ccccc12)O |
2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid |
| 38641 | QNN ZINC000039217046 |
22 | C8 H13 N O | InChI=1S/C8H13NO/c1-6-8(1 0)7-2-4-9(6)5-3-7/h6-7H,2 -5H2,1H3/t6-/m0/s1; LGOHLIRGPFPGKT-LURJTMIESA-N |
C[CH]1N2CCC(CC2)C1=O; CC1C(=O)C2CCN1CC2; C[C@H]1C(=O)C2CCN1CC2; C[C@@H]1N2CCC(CC 2)C1=O |
(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one |
| 38642 | QNO CHEMBL1235570 DB08453 ZINC000100036761 |
5 | C18 H25 N O2 | InChI=1S/C18H25NO2/c1-2-3 -4-5-6-7-8-11-15-14-18(20 )16-12-9-10-13-17(16)19(1 5)21/h9-10,12-14,20H,2-8, 11H2,1H3; LMBFBUICIQJLPK-UHFFFAOYSA-N |
CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O; [O-][ n+]2c1ccccc1c(O)cc2CCCCCCCCC; CCCCCCCCCc 1cc(O)c2ccccc2[n+]1[O-] |
2-NONYL-4-HYDROXYQUINOLINE N-OXIDE |
| 38643 | QNP | 12 | C26 H51 O8 P | InChI=1S/C26H51O8P/c1-3-5 -7-9-11-12-13-14-15-17-19 -21-26(28)34-24(23-33-35( 29,30)31)22-32-25(27)20-1 8-16-10-8-6-4-2/h24H,3-23 H2,1-2H3,(H2,29,30,31)/t2 4-/m0/s1; GDXQVZUHVZYLSC-DEOSSOPVSA-N |
CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP (=O)(O)O; CCCCCCCCCCCCCC(=O)O[C@@H](COC( =O)CCCCCCCC)CO[P](O)(O)=O; CCCCCCCCC(=O) OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O; CCC CCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[ P](O)(O)=O; CCCCCCCCCCCCCC(=O)O[C@@H](CO C(=O)CCCCCCCC)COP(=O)(O)O |
(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate |
| 38644 | QNQ | 0 | C10 H13 N O4 S | InChI=1S/C10H13NO4S/c1-5- 2-3-7(12)8(13)9(5)16-4-6( 11)10(14)15/h2-3,6,12-13H ,4,11H2,1H3,(H,14,15)/t6- /m0/s1; ZBDRXXWHBJGDMK-LURJTMIESA-N |
Cc1ccc(O)c(O)c1SC[CH](N)C(O)=O; Cc1ccc(O )c(O)c1SC[C@H](N)C(O)=O; Cc1ccc(c(c1SCC( C(=O)O)N)O)O; Cc1ccc(c(c1SC[C@@H](C(=O)O )N)O)O |
4-methylcatechol cysteine |
| 38645 | QNR | 1 | C11 H9 N3 | InChI=1S/C11H9N3/c12-10-8 -4-2-1-3-7(8)9-5-6-13-11( 9)14-10/h1-6H,(H3,12,13,1 4); OEJVERPJEZHNRW-UHFFFAOYSA-N |
c1ccc2c(c1)c3cc[nH]c3nc2N; Nc1nc2[nH]ccc 2c3ccccc13 |
3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine |
| 38646 | QNS CHEMBL3752386 ZINC000144381548 |
1 | C25 H25 Cl N2 O5 | InChI=1S/C25H25ClN2O5/c1- 31-19-7-4-17(5-8-19)25(10 -13-32-14-11-25)16-27-23( 29)20-9-6-18(15-21(20)26) 28-24(30)22-3-2-12-33-22/ h2-9,12,15H,10-11,13-14,1 6H2,1H3,(H,27,29)(H,28,30 ); PFKDFLVWKSDYJO-UHFFFAOYSA-N |
COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl )NC(=O)c4ccco4; COc1ccc(cc1)C2(CCOCC2)CN C(=O)c3ccc(NC(=O)c4occc4)cc3Cl |
N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide |
| 38647 | QNT | 0 | C11 H15 N O4 S | InChI=1S/C11H15NO4S/c1-5- 3-8(6(2)10(14)9(5)13)17-4 -7(12)11(15)16/h3,7,13-14 H,4,12H2,1-2H3,(H,15,16)/ t7-/m0/s1; UEMGXFDZIILASV-ZETCQYMHSA-N |
Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O; Cc1cc (c(c(c1O)O)C)SCC(C(=O)O)N; Cc1cc(SC[C@H] (N)C(O)=O)c(C)c(O)c1O; Cc1cc(c(c(c1O)O)C )SC[C@@H](C(=O)O)N |
3,6-dimethylcatechol cysteine |
| 38648 | QNU | 3 | C19 H16 Cl N3 O | InChI=1S/C19H16ClN3O/c20- 14-6-5-13-9-21-10-17(16(1 3)7-14)19(24)23-18-11-22- 8-12-3-1-2-4-15(12)18/h1- 8,11,17,21H,9-10H2,(H,23, 24)/t17-/m1/s1; SYSIIGBRVBHDHN-QGZVFWFLSA-N |
c1ccc2c(c1)cncc2NC(=O)C3CNCc4c3cc(cc4)Cl ; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNCc4c3cc (cc4)Cl; Clc1ccc2CNC[CH](C(=O)Nc3cncc4cc ccc34)c2c1; Clc1ccc2CNC[C@@H](C(=O)Nc3cn cc4ccccc34)c2c1; Clc1ccc2CNCC(c2c1)C(=O) Nc1cncc2ccccc21 |
(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 38649 | QNV | 2 | C19 H16 N2 O6 | InChI=1S/C19H16N2O6/c22-1 4-3-1-2-10-11(14)7-12(19( 25)26)17(10)21-18(24)9-4- 5-13-15(6-9)27-8-16(23)20 -13/h1-6,12,17,22H,7-8H2, (H,20,23)(H,21,24)(H,25,2 6)/t12-,17+/m0/s1; NPDVANGOGQJPGW-YVEFUNNKSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)OCC( =O)N4)C(=O)O; OC(=O)[CH]1Cc2c(O)cccc2[CH ]1NC(=O)c3ccc4NC(=O)COc4c3; OC(=O)[C@H]1 Cc2c(O)cccc2[C@H]1NC(=O)c3ccc4NC(=O)COc4 c3; O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC (=O)COc2c1; c1cc2c(c(c1)O)C[C@@H]([C@@H] 2NC(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)O |
(1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38650 | QNW | 0 | C10 H13 N O4 S | InChI=1S/C10H13NO4S/c1-5- 2-3-7(9(13)8(5)12)16-4-6( 11)10(14)15/h2-3,6,12-13H ,4,11H2,1H3,(H,14,15)/t6- /m0/s1; FMLUMWBOFIKJEP-LURJTMIESA-N |
Cc1ccc(SC[CH](N)C(O)=O)c(O)c1O; Cc1ccc(S C[C@H](N)C(O)=O)c(O)c1O; Cc1ccc(c(c1O)O) SCC(C(=O)O)N; Cc1ccc(c(c1O)O)SC[C@@H](C( =O)O)N |
3-methylcatechol cysteine |
| 38651 | QNX | 4 | C14 H22 N4 O9 P2 | InChI=1S/C14H22N4O9P2/c1- 9-14(19)13(10(3-16-9)6-26 -28(20,21)22)5-17-12(7-27 -29(23,24)25)2-11-4-15-8- 18-11/h3-4,8,12,17,19H,2, 5-7H2,1H3,(H,15,18)(H2,20 ,21,22)(H2,23,24,25)/t12- /m0/s1; WJUXYPJSYWWQCX-LBPRGKRZSA-N |
Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO[P](O)(O )=O)Cc2c[nH]cn2)c1O; Cc1c(c(c(cn1)COP(=O )(O)O)CNC(Cc2c[nH]cn2)COP(=O)(O)O)O; Cc1 c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2c[nH]c n2)COP(=O)(O)O)O; Cc1ncc(CO[P](O)(O)=O)c (CN[C@H](CO[P](O)(O)=O)Cc2c[nH]cn2)c1O |
[(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate |
| 38652 | QNY | 0 | C8 H16 N2 O7 | InChI=1S/C8H16N2O7/c1-3(5 (10)7(13)14)17-8(15,16)2- 4(9)6(11)12/h3-5,15-16H,2 ,9-10H2,1H3,(H,11,12)(H,1 3,14)/t3-,4+,5+/m1/s1; IXNIAZLULGXEOE-WISUUJSJSA-N |
C[CH](OC(O)(O)C[CH](N)C(O)=O)[CH](N)C(O) =O; CC(C(C(=O)O)N)OC(CC(C(=O)O)N)(O)O; C [C@@H](OC(O)(O)C[C@H](N)C(O)=O)[C@H](N)C (O)=O; O=C(O)C(N)C(OC(CC(C(O)=O)N)(O)O)C ; C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O )O)N)(O)O |
O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine |
| 38653 | QNZ CHEMBL3805841 ZINC000214545246 |
1 | C24 H15 N3 O3 | InChI=1S/C24H15N3O3/c25-1 5-17-10-8-16(9-11-17)12-1 3-22-26-21-7-2-1-6-20(21) 23(28)27(22)19-5-3-4-18(1 4-19)24(29)30/h1-14H,(H,2 9,30)/b13-12+; XWICYONKRAKFAQ-OUKQBFOZSA-N |
O=C(O)c1cc(ccc1)N3C(=Nc2c(cccc2)C3=O)\C= C\c4ccc(C#N)cc4; c1ccc2c(c1)C(=O)N(C(=N2 )/C=C/c3ccc(cc3)C#N)c4cccc(c4)C(=O)O; OC (=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2/C=C/c4 ccc(cc4)C#N; OC(=O)c1cccc(c1)N2C(=O)c3cc ccc3N=C2C=Cc4ccc(cc4)C#N; c1ccc2c(c1)C(= O)N(C(=N2)C=Cc3ccc(cc3)C#N)c4cccc(c4)C(= O)O |
(E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid |
| 38654 | QO0 | 2 | C20 H16 Cl2 N2 O3 | InChI=1S/C20H16Cl2N2O3/c1 -26-20(6-7-27-18-9-16(22) 15(21)8-14(18)20)19(25)24 -17-11-23-10-12-4-2-3-5-1 3(12)17/h2-5,8-11H,6-7H2, 1H3,(H,24,25)/t20-/m0/s1; GPTYSZBZQAEHFD-FQEVSTJZSA-N |
CO[C@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cnc c4c3cccc4; CO[C@]1(CCOc2cc(Cl)c(Cl)cc12) C(=O)Nc3cncc4ccccc34; COC1(CCOc2c1cc(c(c 2)Cl)Cl)C(=O)Nc3cncc4c3cccc4; CO[C]1(CCO c2cc(Cl)c(Cl)cc12)C(=O)Nc3cncc4ccccc34; Clc1cc2c(cc1Cl)OCCC2(OC)C(=O)Nc1cncc2ccc cc21 |
(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38655 | QO1 CHEMBL1908941 ZINC000049722543 |
1 | C34 H35 F N2 O11 S | InChI=1S/C34H35FN2O11S/c1 -49(45,46)36-18-2-3-19-4- 12-23(13-5-19)37-27(25(32 (37)42)16-17-26(38)20-6-1 0-22(35)11-7-20)21-8-14-2 4(15-9-21)47-34-30(41)28( 39)29(40)31(48-34)33(43)4 4/h4-15,25-31,34,36,38-41 H,16-18H2,1H3,(H,43,44)/t 25-,26+,27-,28+,29+,30-,3 1+,34-/m1/s1; DWURZHBEXYXPMW-WHTAKPIKSA-N |
c1(ccc(cc1)C(CCC4C(c2ccc(cc2)OC3C(C(C(C( C(=O)O)O3)O)O)O)N(C4=O)c5ccc(cc5)C#CCNS( C)(=O)=O)O)F; C[S](=O)(=O)NCC#Cc1ccc(cc1 )N2[C@@H]([C@@H](CC[C@H](O)c3ccc(F)cc3)C 2=O)c4ccc(O[C@@H]5O[C@@H]([C@@H](O)[C@H] (O)[C@H]5O)C(O)=O)cc4; C[S](=O)(=O)NCC#C c1ccc(cc1)N2[CH]([CH](CC[CH](O)c3ccc(F)c c3)C2=O)c4ccc(O[CH]5O[CH]([CH](O)[CH](O) [CH]5O)C(O)=O)cc4; CS(=O)(=O)NCC#Cc1ccc( cc1)N2C(C(C2=O)CCC(c3ccc(cc3)F)O)c4ccc(c c4)OC5C(C(C(C(O5)C(=O)O)O)O)O; CS(=O)(=O )NCC#Cc1ccc(cc1)N2[C@@H](C(C2=O)CC[C@@H] (c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([ C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid |
| 38656 | QO2 | 0 | C11 H15 N O4 S | InChI=1S/C11H15NO4S/c1-5- 3-8(13)9(14)10(6(5)2)17-4 -7(12)11(15)16/h3,7,13-14 H,4,12H2,1-2H3,(H,15,16)/ t7-/m0/s1; KLVVDBBGHNYECQ-ZETCQYMHSA-N |
Cc1cc(c(c(c1C)SCC(C(=O)O)N)O)O; Cc1cc(O) c(O)c(SC[CH](N)C(O)=O)c1C; Cc1cc(O)c(O)c (SC[C@H](N)C(O)=O)c1C; Cc1cc(c(c(c1C)SC[ C@@H](C(=O)O)N)O)O |
4,5-dimethylcatechol cysteine |
| 38657 | QO3 | 1 | C20 H21 N3 O4 | InChI=1S/C20H21N3O4/c24-1 6-3-1-2-13-14(16)8-15(20( 26)27)18(13)23-19(25)12-6 -7-17(22-10-12)21-9-11-4- 5-11/h1-3,6-7,10-11,15,18 ,24H,4-5,8-9H2,(H,21,22)( H,23,25)(H,26,27)/t15-,18 +/m1/s1; NMUBYVYZKDCGHF-QAPCUYQASA-N |
OC(=O)[C@@H]1Cc2c(O)cccc2[C@@H]1NC(=O)c3 ccc(NCC4CC4)nc3; O=C(O)C1Cc2c(cccc2O)C1N C(=O)c1cnc(NCC2CC2)cc1; c1cc2c(c(c1)O)C[ C@H]([C@H]2NC(=O)c3ccc(nc3)NCC4CC4)C(=O) O; c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(nc3)NC C4CC4)C(=O)O; OC(=O)[CH]1Cc2c(O)cccc2[CH ]1NC(=O)c3ccc(NCC4CC4)nc3 |
(1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38658 | QO4 CHEMBL5095043 DB19028 |
1 | C20 H23 F6 N7 O3 | InChI=1S/C20H23F6N7O3/c1- 12(30-14-10-29-31-17(35)1 6(14)20(24,25)26)11-36-7- 2-15(34)32-3-5-33(6-4-32) 18-27-8-13(9-28-18)19(21, 22)23/h8-10,12H,2-7,11H2, 1H3,(H2,30,31,35)/t12-/m0 /s1; UQZCQKXJAXKZQH-LBPRGKRZSA-N |
C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F )(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F; CC(COCC C(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C( C(=O)NN=C3)C(F)(F)F; C[CH](COCCC(=O)N1CC N(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C 3)C(F)(F)F; C(CC(=O)N1CCN(CC1)c2ncc(C(F) (F)F)cn2)OCC(C)NC3=C(C(=O)NN=C3)C(F)(F)F |
5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one; RBN-2397 |
| 38659 | QO5 | 0 | C11 H15 N O4 S | InChI=1S/C11H15NO4S/c1-5- 3-6(2)10(9(14)8(5)13)17-4 -7(12)11(15)16/h3,7,13-14 H,4,12H2,1-2H3,(H,15,16)/ t7-/m0/s1; RAYLAPVRHGMZKQ-ZETCQYMHSA-N |
Cc1cc(C)c(SC[CH](N)C(O)=O)c(O)c1O; Cc1cc (C)c(SC[C@H](N)C(O)=O)c(O)c1O; Cc1cc(c(c (c1O)O)SC[C@@H](C(=O)O)N)C; Cc1cc(c(c(c1 O)O)SCC(C(=O)O)N)C |
3,5-dimethylcatechol cysteine |
| 38660 | QO6 CHEMBL63607 ZINC000000128916 |
1 | C11 H13 N O | InChI=1S/C11H13NO/c1-8(13 )12-11-6-5-9-3-2-4-10(9)7 -11/h5-7H,2-4H2,1H3,(H,12 ,13); WOYOJAPRKMBKEU-UHFFFAOYSA-N |
CC(=O)Nc1ccc2c(c1)CCC2; CC(=O)Nc1ccc2CCC c2c1 |
N-(2,3-dihydro-1H-inden-5-yl)acetamide; ~{N}-(2,3-dihydro-1~{H}-inden-5-yl)ethanamide |
| 38661 | QO7 CHEMBL3187723 DB11967 ZINC000038460704 |
1 | C17 H15 Br F2 N4 O3 | InChI=1S/C17H15BrF2N4O3/c 1-24-8-21-16-13(24)7-10(1 7(26)23-27-5-4-25)15(14(1 6)20)22-12-3-2-9(18)6-11( 12)19/h2-3,6-8,22,25H,4-5 H2,1H3,(H,23,26); ACWZRVQXLIRSDF-UHFFFAOYSA-N |
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NO CCO; Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(cc12) C(=O)NOCCO; c1(ccc(cc1F)Br)Nc2c(C(NOCCO) =O)cc3c(c2F)ncn3C |
5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide |
| 38662 | QO8 | 0 | C11 H17 N O4 S | InChI=1S/C11H17NO4S/c1-5- 3-8(10(14)9(13)6(5)2)17-4 -7(12)11(15)16/h3,7,11,13 -16H,4,12H2,1-2H3/t7-/m0/ s1; XKYPIZZJDXSTGC-ZETCQYMHSA-N |
Cc1cc(c(c(c1C)O)O)SC[C@@H](C(O)O)N; Cc1c c(SC[CH](N)C(O)O)c(O)c(O)c1C; Cc1cc(SC[C @H](N)C(O)O)c(O)c(O)c1C; Cc1cc(c(c(c1C)O )O)SCC(C(O)O)N |
3,4-dimethylcatechol cysteine |
| 38663 | QO9 CHEMBL1738875 |
1 | C24 H43 N3 O8 S Si2 | InChI=1S/C24H43N3O8SSi2/c 1-15-12-27(21(29)26-19(15 )28)20-18(34-38(10,11)23( 5,6)7)24(16(25)14-36(30,3 1)35-24)17(33-20)13-32-37 (8,9)22(2,3)4/h12,14,17-1 8,20H,13,25H2,1-11H3,(H,2 6,28,29)/t17-,18+,20-,24- /m1/s1; YMSLYTIPSGCZRM-DSPLJNTKSA-N |
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@ H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O) O3)N)O[Si](C)(C)C(C)(C)C; CC1=CN(C(=O)NC 1=O)C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(= CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C; CC1= CN([CH]2O[CH](CO[Si](C)(C)C(C)(C)C)[C]3( O[S](=O)(=O)C=C3N)[CH]2O[Si](C)(C)C(C)(C )C)C(=O)NC1=O; O=C1C(=CN(C(=O)N1)C3OC(C2 (OS(=O)(=O)C=C2N)C3O[Si](C(C)(C)C)(C)C)C O[Si](C(C)(C)C)(C)C)C; CC1=CN([C@@H]2O[C @H](CO[Si](C)(C)C(C)(C)C)[C@@]3(O[S](=O) (=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)C(=O )NC1=O |
1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione |
| 38664 | QOA CHEMBL2107832 DB14904 ZINC000038226009 |
1 | C15 H15 F I N3 O3 | InChI=1S/C15H15FIN3O3/c16 -12-5-9(17)1-2-13(12)20-1 4-7-18-4-3-11(14)15(23)19 -6-10(22)8-21/h1-5,7,10,2 0-22H,6,8H2,(H,19,23)/t10 -/m0/s1; VIUAUNHCRHHYNE-JTQLQIEISA-N |
c1cc(c(cc1I)F)Nc2cnccc2C(=O)NCC(CO)O; c1 cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O; OC[CH](O)CNC(=O)c1ccncc1Nc2ccc(I)cc2F; c2(Nc1ccc(cc1F)I)c(C(=O)NCC(O)CO)ccnc2; OC[C@@H](O)CNC(=O)c1ccncc1Nc2ccc(I)cc2F |
N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide |
| 38665 | QOB | 7 | C26 H40 N4 O6 | InChI=1S/C26H40N4O6/c1-17 -12-13-22(33)27-15-14-20( 32)16-21(25(35)28-17)29-2 6(36)24(18(2)31)30-23(34) 11-7-6-10-19-8-4-3-5-9-19 /h3-5,8-9,17-18,20-21,24, 31-32H,6-7,10-16H2,1-2H3, (H,27,33)(H,28,35)(H,29,3 6)(H,30,34)/t17-,18+,20-, 21-,24-/m0/s1; WMBRGTCTXHPVLU-KGLBSCIUSA-N |
C[C@@H](O)[C@H](NC(=O)CCCCc1ccccc1)C(=O) N[C@H]2C[C@@H](O)CCNC(=O)CC[C@H](C)NC2=O ; CC1CCC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C) O)NC(=O)CCCCc2ccccc2)O; C[C@H]1CCC(=O)NC C[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@ H](C)O)NC(=O)CCCCc2ccccc2)O; C[CH](O)[CH ](NC(=O)CCCCc1ccccc1)C(=O)N[CH]2C[CH](O) CCNC(=O)CC[CH](C)NC2=O |
~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide; Syrbactin inhibitor; HB334 |
| 38666 | QOC | 1 | C20 H16 Cl2 N2 O | InChI=1S/C20H16Cl2N2O/c21 -17-8-7-13(10-18(17)22)16 -6-3-9-24(20(16)25)19-12- 23-11-14-4-1-2-5-15(14)19 /h1-2,4-5,7-8,10-12,16H,3 ,6,9H2/t16-/m1/s1; CJNMPNBDTPWBLB-MRXNPFEDSA-N |
Clc1ccc(cc1Cl)[CH]2CCCN(C2=O)c3cncc4cccc c34; Clc1ccc(cc1Cl)C1CCCN(c2cncc3ccccc23 )C1=O; c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc (c(c4)Cl)Cl; c1ccc2c(c1)cncc2N3CCC[C@@H] (C3=O)c4ccc(c(c4)Cl)Cl; Clc1ccc(cc1Cl)[C @H]2CCCN(C2=O)c3cncc4ccccc34 |
(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
| 38667 | QOD | 2 | C40 H79 N O9 | InChI=1S/C40H79NO9/c1-4-5 -6-7-8-9-10-11-14-17-20-2 3-26-32(43)28-36(45)41-33 (30-49-40-39(48)38(47)37( 46)35(29-42)50-40)34(44)2 7-24-21-18-15-12-13-16-19 -22-25-31(2)3/h31-35,37-4 0,42-44,46-48H,4-30H2,1-3 H3,(H,41,45)/t32-,33+,34- ,35-,37+,38+,39-,40+/m1/s 1; OXDHWVALGDXDDK-OGMOURDSSA-N |
CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@ H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O) [C@@H](CCCCCCCCCCCC(C)C)O)O; CCCCCCCCCCC CCC[CH](O)CC(=O)N[CH](CO[CH]1O[CH](CO)[C H](O)[CH](O)[CH]1O)[CH](O)CCCCCCCCCCCC(C )C; CCCCCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H] (CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H] 1O)[C@H](O)CCCCCCCCCCCC(C)C; C(C(NC(=O)C C(CCCCCCCCCCCCCC)O)C(CCCCCCCCCCCC(C)C)O) OC1OC(C(C(C1O)O)O)CO; CCCCCCCCCCCCCCC(CC (=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCCCC CCCCC(C)C)O)O |
(3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide |
| 38668 | QOE | 8 | C24 H36 N4 O6 | InChI=1S/C24H36N4O6/c1-15 -8-10-20(31)25-13-12-18(3 0)14-19(23(33)26-15)27-24 (34)22(16(2)29)28-21(32)1 1-9-17-6-4-3-5-7-17/h3-7, 15-16,18-19,22,29-30H,8-1 4H2,1-2H3,(H,25,31)(H,26, 33)(H,27,34)(H,28,32)/t15 -,16+,18-,19-,22-/m0/s1; MYKWJGODZLZGEA-MHRUYAEQSA-N |
C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1) NC(=O)[C@H]([C@@H](C)O)NC(=O)CCc2ccccc2) O; C[C@@H](O)[C@H](NC(=O)CCc1ccccc1)C(=O )N[C@H]2C[C@@H](O)CCNC(=O)CC[C@H](C)NC2= O; C[CH](O)[CH](NC(=O)CCc1ccccc1)C(=O)N[ CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O; CC1C CC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C)O)NC(= O)CCc2ccccc2)O |
(2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide; HB335 |
| 38669 | QOF | 1 | C20 H21 N3 O4 | InChI=1S/C20H21N3O4/c24-1 6-3-1-2-13-14(16)8-15(20( 26)27)18(13)23-19(25)12-6 -7-17(22-10-12)21-9-11-4- 5-11/h1-3,6-7,10-11,15,18 ,24H,4-5,8-9H2,(H,21,22)( H,23,25)(H,26,27)/t15-,18 +/m0/s1; NMUBYVYZKDCGHF-MAUKXSAKSA-N |
O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc(NCC2CC 2)cc1; c1cc2c(c(c1)O)C[C@@H]([C@@H]2NC(= O)c3ccc(nc3)NCC4CC4)C(=O)O; c1cc2c(c(c1) O)CC(C2NC(=O)c3ccc(nc3)NCC4CC4)C(=O)O; O C(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(N CC4CC4)nc3; OC(=O)[C@H]1Cc2c(O)cccc2[C@H ]1NC(=O)c3ccc(NCC4CC4)nc3 |
(1S,2S)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38670 | QOG | 3 | C6 H11 N5 O3 S2 | InChI=1S/C6H11N5O3S2/c1-3 (2)8-4(12)9-5-10-11-6(15- 5)16(7,13)14/h3H,1-2H3,(H 2,7,13,14)(H2,8,9,10,12); YLZWSQAIKQWBTO-UHFFFAOYSA-N |
CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N; CC(C)NC (=O)Nc1sc(nn1)[S](N)(=O)=O; C(C)(C)NC(=O )Nc1sc(S(N)(=O)=O)nn1 |
5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide |
| 38671 | QOH | 8 | C28 H52 N4 O6 | InChI=1S/C28H52N4O6/c1-19 (2)12-10-8-6-5-7-9-11-13- 25(36)32-26(21(4)33)28(38 )31-23-18-22(34)16-17-29- 24(35)15-14-20(3)30-27(23 )37/h19-23,26,33-34H,5-18 H2,1-4H3,(H,29,35)(H,30,3 7)(H,31,38)(H,32,36)/t20- ,21+,22-,23-,26-/m0/s1; UIOLVRCVADVWOP-CTVYPFPQSA-N |
CC1CCC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C)O) NC(=O)CCCCCCCCCC(C)C)O; CC(C)CCCCCCCCCC( =O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCN C(=O)CC[CH](C)NC1=O; C[C@H]1CCC(=O)NCC[C @@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H]( C)O)NC(=O)CCCCCCCCCC(C)C)O; CC(C)CCCCCCC CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[ C@@H](O)CCNC(=O)CC[C@H](C)NC1=O |
11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide; Syrbactin inhibitor; HB333 |
| 38672 | QOI | 10 | C14 H8 O5 | InChI=1S/C14H8O5/c15-6-4- 8-12(10(17)5-6)14(19)11-7 (13(8)18)2-1-3-9(11)16/h1 -5,15-17H; VVEKCQAFOLKNKB-UHFFFAOYSA-N |
c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O; O c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |
1,3,8-tris(oxidanyl)anthracene-9,10-dione |
| 38673 | QOJ | 5 | C34 H44 N4 | InChI=1S/C34H42N4/c35-33- 25-15-7-9-19-29(25)37(31- 21-13-17-27(31)33)23-11-5 -3-1-2-4-6-12-24-38-30-20 -10-8-16-26(30)34(36)28-1 8-14-22-32(28)38/h7-10,15 -16,19-20,35-36H,1-6,11-1 4,17-18,21-24H2/p+2; MEFIQYBUDHNVHT-UHFFFAOYSA-P |
Nc1c2CCCc2[n+](CCCCCCCCCC[n+]3c4CCCc4c(N )c5ccccc35)c6ccccc16; c1ccc2c(c1)c(c3c([ n+]2CCCCCCCCCC[n+]4c5ccccc5c(c6c4CCC6)N) CCC3)N; Nc1c2ccccc2[n+](CCCCCCCCCC[n+]2c 3ccccc3c(N)c3CCCc23)c2CCCc12 |
4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium) |
| 38674 | QOK | 3 | C11 H16 N4 O4 | InChI=1S/C11H16N4O4/c1-13 -9-8(10(16)14(2)11(13)17) 15(6-12-9)7-19-5-4-18-3/h 6H,4-5,7H2,1-3H3; BSIZPWZVMIVPIN-UHFFFAOYSA-N |
CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C; COCCO Cn1cnc2N(C)C(=O)N(C)C(=O)c12 |
7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione |
| 38675 | QOL | 0 | C14 H16 N2 O5 | InChI=1S/C14H16N2O5/c15-1 0-3-1-2-9-12(21-7-8(5-17) 6-18)4-11(14(19)20)16-13( 9)10/h1-4,8,17-18H,5-7,15 H2,(H,19,20); XJOGBGMOAHLDPT-UHFFFAOYSA-N |
c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(CO)CO; Nc 1cccc2c(OCC(CO)CO)cc(nc12)C(O)=O |
8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde |
| 38676 | QOM CHEMBL2103875 DB08911 ZINC000043100709 |
4 | C26 H23 F I N5 O4 | InChI=1S/C26H23FIN5O4/c1- 13-22-21(23(31(3)24(13)35 )30-20-10-7-15(28)11-19(2 0)27)25(36)33(17-8-9-17)2 6(37)32(22)18-6-4-5-16(12 -18)29-14(2)34/h4-7,10-12 ,17,30H,8-9H2,1-3H3,(H,29 ,34); LIRYPHYGHXZJBZ-UHFFFAOYSA-N |
CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N (C(=O)N2c4cccc(c4)NC(=O)C)C5CC5; c1c(ccc (c1F)NC2=C3C(=C(C)C(N2C)=O)N(C(N(C3=O)C4 CC4)=O)c5cccc(c5)NC(=O)C)I; CN1C(=O)C(=C 2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F) c5cccc(NC(C)=O)c5)C |
Trametinib; N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide |
| 38677 | QON CHEMBL5439323 |
1 | C14 H18 Cl N3 O3 | InChI=1S/C14H18ClN3O3/c15 -8-13(19)18-5-3-10(4-6-18 )16-14(20)11-7-12(21-17-1 1)9-1-2-9/h7,9-10H,1-6,8H 2,(H,16,20); OENTXAYVUCLRJQ-UHFFFAOYSA-N |
ClCC(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3; c1c(onc1C(=O)NC2CCN(CC2)C(=O)CCl)C3CC3 |
N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide; ~{N}-[1-(2-chloranylethanoyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide |
| 38678 | QOO | 1 | C23 H25 Cl N4 O3 S | InChI=1S/C23H25ClN4O3S/c1 -2-32(30,31)28-9-7-27(8-1 0-28)20-12-17(11-19(24)14 -20)13-23(29)26-22-16-25- 15-18-5-3-4-6-21(18)22/h3 -6,11-12,14-16H,2,7-10,13 H2,1H3,(H,26,29); FPNVOOOMGSKXIQ-UHFFFAOYSA-N |
CC[S](=O)(=O)N1CCN(CC1)c2cc(Cl)cc(CC(=O) Nc3cncc4ccccc34)c2; CCS(=O)(=O)N1CCN(CC1 )c2cc(cc(c2)Cl)CC(=O)Nc3cncc4c3cccc4; O= S(=O)(CC)N1CCN(CC1)c1cc(CC(=O)Nc2cncc3cc ccc32)cc(Cl)c1 |
2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide |
| 38679 | QOP CHEMBL3348923 DB15266 ZINC000043202464 |
4 | C17 H12 Cl2 F3 N7 O2 S | InChI=1S/C17H12Cl2F3N7O2S /c1-6(28-15(31)12-11(19)1 3(23)27-5-26-12)16-25-4-9 (32-16)14(30)29-10-2-7(17 (20,21)22)8(18)3-24-10/h2 -6H,1H3,(H,28,31)(H2,23,2 6,27)(H,24,29,30)/t6-/m1/ s1; VWMJHAFYPMOMGF-ZCFIWIBFSA-N |
C[C@@H](NC(=O)c1ncnc(N)c1Cl)c2sc(cn2)C(= O)Nc3cc(c(Cl)cn3)C(F)(F)F; c3(C(NC(c1ncn c(c1Cl)N)=O)C)ncc(C(Nc2cc(C(F)(F)F)c(cn2 )Cl)=O)s3; C[C@H](c1ncc(s1)C(=O)Nc2cc(c( cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl; C C(c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F) NC(=O)c3c(c(ncn3)N)Cl; C[CH](NC(=O)c1ncn c(N)c1Cl)c2sc(cn2)C(=O)Nc3cc(c(Cl)cn3)C( F)(F)F |
6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide; tovorafenib |
| 38680 | QOQ CHEMBL4797527 |
4 | C18 H19 Cl F2 N6 | InChI=1S/C18H19ClF2N6/c1- 11-5-12(6-16(19)24-11)8-2 6-4-2-3-13(9-26)15-7-14(1 7(20)21)25-18-22-10-23-27 (15)18/h5-7,10,13,17H,2-4 ,8-9H2,1H3/t13-/m0/s1; MSZCFMHHPOAAQM-ZDUSSCGKSA-N |
Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n 3ncn4)C(F)F; Cc1cc(cc(n1)Cl)CN2CCCC(C2)c 3cc(nc4n3ncn4)C(F)F; Cc1cc(CN2CCC[C@@H]( C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1; Cc1cc( CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl )n1 |
5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine |
| 38681 | QOR | 1 | C20 H22 N4 O5 | InChI=1S/C20H22N4O5/c25-1 6-3-1-2-12-13(16)8-14(20( 27)28)18(12)24-19(26)15-9 -22-17(10-21-15)23-11-4-6 -29-7-5-11/h1-3,9-11,14,1 8,25H,4-8H2,(H,22,23)(H,2 4,26)(H,27,28)/t14-,18+/m 1/s1; QXKJWZYTSHGWOC-KDOFPFPSSA-N |
OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3cnc( NC4CCOCC4)cn3; c1cc2c(c(c1)O)CC(C2NC(=O) c3cnc(cn3)NC4CCOCC4)C(=O)O; c1cc2c(c(c1) O)C[C@H]([C@H]2NC(=O)c3cnc(cn3)NC4CCOCC4 )C(=O)O; OC(=O)[C@@H]1Cc2c(O)cccc2[C@@H] 1NC(=O)c3cnc(NC4CCOCC4)cn3; O=C(O)C1Cc2c (cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1 |
(1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38682 | QOS ZINC000014448309 |
2 | C6 H8 N2 O | InChI=1S/C6H8N2O/c1-4-3-7 -6(9)5(2)8-4/h3H,1-2H3,(H ,7,9); AJYKJVCIKQEVCF-UHFFFAOYSA-N |
C1=C(N=C(C)C(N1)=O)C; CC1=CNC(=O)C(=N1)C | 3,5-dimethylpyrazin-2(1H)-one |
| 38683 | QOT | 9 | C16 H12 O5 | InChI=1S/C16H12O5/c1-20-8 -6-10-13(11(17)7-8)16(19) 14-9(15(10)18)4-3-5-12(14 )21-2/h3-7,17H,1-2H3; GAFPZYFLMZLWCQ-UHFFFAOYSA-N |
COc1cccc2c1C(=O)c3c(cc(cc3O)OC)C2=O; COc 1cc(O)c2C(=O)c3c(OC)cccc3C(=O)c2c1 |
3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione |
| 38684 | QOU | 1 | C22 H22 Cl N3 O2 | InChI=1S/C22H22ClN3O2/c1- 28-11-9-22(8-10-25-19-7-6 -16(23)12-18(19)22)21(27) 26-20-14-24-13-15-4-2-3-5 -17(15)20/h2-7,12-14,25H, 8-11H2,1H3,(H,26,27)/t22- /m0/s1; KPHTXNLGFDQMPU-QFIPXVFZSA-N |
Clc1ccc2NCCC(CCOC)(c2c1)C(=O)Nc1cncc2ccc cc21; COCCC1(CCNc2c1cc(cc2)Cl)C(=O)Nc3cn cc4c3cccc4; COCC[C@]1(CCNc2ccc(Cl)cc12)C (=O)Nc3cncc4ccccc34; COCC[C@]1(CCNc2c1cc (cc2)Cl)C(=O)Nc3cncc4c3cccc4; COCC[C]1(C CNc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
| 38685 | QOV | 6 | C14 H13 Cl N4 O3 S | InChI=1S/C14H13ClN4O3S/c1 -9-16-14-11(4-3-7-19(14)1 7-9)18-23(20,21)13-8-10(1 5)5-6-12(13)22-2/h3-8,18H ,1-2H3; HLRMNXITZQAUIH-UHFFFAOYSA-N |
Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl ; n12cccc(c1nc(n2)C)NS(c3c(OC)ccc(Cl)c3) (=O)=O; COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn 3nc(C)nc23 |
5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide |
| 38686 | QOX CHEMBL189783 ZINC000000157019 |
2 | C9 H7 N O | InChI=1S/C9H7NO/c11-10-7- 3-5-8-4-1-2-6-9(8)10/h1-7 H; GIIWGCBLYNDKBO-UHFFFAOYSA-N |
[O-][n+]1cccc2ccccc12; [O-][n+]1cccc2ccc cc21; c1ccc2c(c1)ccc[n+]2[O-] |
1-oxo-1lambda~5~-quinoline |
| 38687 | QOY ZINC000097944637 |
6 | C13 H11 Cl N4 O3 S | InChI=1S/C13H11ClN4O3S/c1 -21-11-5-4-9(14)7-12(11)2 2(19,20)17-10-3-2-6-18-13 (10)15-8-16-18/h2-8,17H,1 H3; VLSIKQJXWTXQPQ-UHFFFAOYSA-N |
COc1ccc(Cl)cc1[S](=O)(=O)Nc2cccn3ncnc23; COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl; n21cccc(c1ncn2)NS(=O)(c3c(OC)ccc(Cl)c3)= O |
5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide |
| 38688 | QOZ CHEMBL4091108 |
2 | C25 H28 N4 O3 S | InChI=1S/C25H28N4O3S/c26- 33(31,32)23-13-11-22(12-1 4-23)27-24(30)19-28-15-17 -29(18-16-28)25(20-7-3-1- 4-8-20)21-9-5-2-6-10-21/h 1-14,25H,15-19H2,(H,27,30 )(H2,26,31,32); MZCJQCUNQFZSCL-UHFFFAOYSA-N |
c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CC(=O)Nc4 ccc(cc4)S(=O)(=O)N; N[S](=O)(=O)c1ccc(NC (=O)CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1 |
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide |
| 38689 | QP0 | 1 | C20 H17 Cl N2 O2 | InChI=1S/C20H17ClN2O2/c1- 12-11-25-18-7-6-14(21)8-1 6(18)19(12)20(24)23-17-10 -22-9-13-4-2-3-5-15(13)17 /h2-10,12,19H,11H2,1H3,(H ,23,24)/t12-,19+/m0/s1; SGXOKACJPFKOBB-HXPMCKFVSA-N |
Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc2 1; C[CH]1COc2ccc(Cl)cc2[CH]1C(=O)Nc3cncc 4ccccc34; CC1COc2ccc(cc2C1C(=O)Nc3cncc4c 3cccc4)Cl; C[C@H]1COc2ccc(Cl)cc2[C@@H]1C (=O)Nc3cncc4ccccc34; C[C@H]1COc2ccc(cc2[ C@@H]1C(=O)Nc3cncc4c3cccc4)Cl |
(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38690 | QP1 | 5 | C27 H28 F N5 O3 S | InChI=1S/C27H28FN5O3S/c1- 4-24(34)30-20-9-10-22(36- 3)21(16-20)31-23-15-18(11 -12-29-23)26-25(17-5-7-19 (28)8-6-17)32-27(33-26)37 -14-13-35-2/h5-12,15-16H, 4,13-14H2,1-3H3,(H,29,31) (H,30,34)(H,32,33); ROSRKSKXAAIZOG-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)c3[nH]c(SC COC)nc3c4ccc(F)cc4)c1; c1c(ccc(c1)F)c4c( c3cc(Nc2cc(ccc2OC)NC(CC)=O)ncc3)nc(SCCOC )n4; CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(n c([nH]3)SCCOC)c4ccc(cc4)F)OC |
N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide |
| 38691 | QP2 | 1 | C16 H28 N4 O7 S | InChI=1S/C16H28N4O7S/c1-6 -11(10(7(2)21)14(22)23)20 -12(15(24)25)13(6)28-9-3- 8(18-5-9)4-19-16(17,26)27 /h6-11,18-21,26-27H,3-5,1 7H2,1-2H3,(H,22,23)(H,24, 25)/t6-,7-,8+,9+,10-,11-/ m1/s1; VAWRCDOEVLBCMW-VFZPANTDSA-N |
C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C NC(N)(O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O) O; CC1C(NC(=C1SC2CC(NC2)CNC(N)(O)O)C(=O) O)C(C(C)O)C(=O)O; C[CH](O)[CH]([CH]1NC(= C(S[CH]2CN[CH](CNC(N)(O)O)C2)[CH]1C)C(O) =O)C(O)=O; C[C@@H](O)[C@H]([C@@H]1NC(=C( S[C@@H]2CN[C@H](CNC(N)(O)O)C2)[C@@H]1C)C (O)=O)C(O)=O |
(4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid; hydrolyzed doripenem |
| 38692 | QP3 ZINC000005812873 |
4 | C16 H12 O5 | InChI=1S/C16H12O5/c1-20-8 -6-10-14(12(7-8)21-2)16(1 9)13-9(15(10)18)4-3-5-11( 13)17/h3-7,17H,1-2H3; MCHNUYTWURIGNT-UHFFFAOYSA-N |
COc1cc2c(c(c1)OC)C(=O)c3c(cccc3O)C2=O; C Oc1cc(OC)c2C(=O)c3c(O)cccc3C(=O)c2c1 |
1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione |
| 38693 | QP4 | 4 | C26 H23 F N4 O | InChI=1S/C26H23FN4O/c1-32 -15-5-8-23-30-24(18-9-11- 19(27)12-10-18)25(31-23)2 0-13-14-28-26-21(20)16-22 (29-26)17-6-3-2-4-7-17/h2 -4,6-7,9-14H,5,8,15-16H2, 1H3,(H,30,31); BKRUSMUGNCVGIH-UHFFFAOYSA-N |
COCCCc1[nH]c(c2ccnc3N=C(Cc23)c4ccccc4)c( n1)c5ccc(F)cc5; c5(CCCOC)nc(c3c2CC(c1ccc cc1)=Nc2ncc3)c(c4ccc(cc4)F)n5; COCCCc1[n H]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5c cccc5 |
4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine |
| 38694 | QP6 | 4 | C20 H16 F2 N2 O3 | InChI=1S/C20H16F2N2O3/c1- 26-20(6-7-27-18-15(20)8-1 3(21)9-16(18)22)19(25)24- 17-11-23-10-12-4-2-3-5-14 (12)17/h2-5,8-11H,6-7H2,1 H3,(H,24,25)/t20-/m0/s1; RMXNRMBUTBCRQX-FQEVSTJZSA-N |
CO[C@]1(CCOc2c1cc(cc2F)F)C(=O)Nc3cncc4c3 cccc4; COC1(CCOc2c1cc(cc2F)F)C(=O)Nc3cnc c4c3cccc4; CO[C]1(CCOc2c(F)cc(F)cc12)C(= O)Nc3cncc4ccccc34; CO[C@]1(CCOc2c(F)cc(F )cc12)C(=O)Nc3cncc4ccccc34; Fc1cc(F)c2OC CC(OC)(c2c1)C(=O)Nc1cncc2ccccc21 |
(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38695 | QP7 CHEMBL4101719 |
4 | C25 H21 F N4 O | InChI=1S/C25H21FN4O/c26-1 8-10-8-17(9-11-18)23-24(3 0-22(29-23)7-4-14-31)19-1 2-13-27-25-20(19)15-21(28 -25)16-5-2-1-3-6-16/h1-3, 5-6,8-13,15,31H,4,7,14H2, (H,27,28)(H,29,30); HLKIWJNLTMGQET-UHFFFAOYSA-N |
c5(nc(c1ccc(cc1)F)c(c4c2c(nc(c2)c3ccccc3 )ncc4)n5)CCCO; OCCCc1[nH]c(c2ccnc3[nH]c( cc23)c4ccccc4)c(n1)c5ccc(F)cc5; c1ccc(cc 1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5 ccc(cc5)F |
3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol |
| 38696 | QP8 CHEMBL4780617 |
1 | C19 H25 N5 O3 | InChI=1S/C19H25N5O3/c1-19 (2,3)27-18(26)24-10-8-23( 9-11-24)15-12-14(21-22-17 (15)20)13-6-4-5-7-16(13)2 5/h4-7,12,25H,8-11H2,1-3H 3,(H2,20,22); AQTNUGRRZDRZIA-UHFFFAOYSA-N |
CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccc cc3O |
tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate; ~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate |
| 38697 | QP9 | 1 | C20 H22 N4 O5 | InChI=1S/C20H22N4O5/c25-1 6-3-1-2-12-13(16)8-14(20( 27)28)18(12)24-19(26)15-9 -22-17(10-21-15)23-11-4-6 -29-7-5-11/h1-3,9-11,14,1 8,25H,4-8H2,(H,22,23)(H,2 4,26)(H,27,28)/t14-,18+/m 0/s1; QXKJWZYTSHGWOC-KBXCAEBGSA-N |
OC(=O)[C@H]1Cc2c(O)cccc2[C@H]1NC(=O)c3cn c(NC4CCOCC4)cn3; OC(=O)[CH]1Cc2c(O)cccc2 [CH]1NC(=O)c3cnc(NC4CCOCC4)cn3; c1cc2c(c (c1)O)C[C@@H]([C@@H]2NC(=O)c3cnc(cn3)NC4 CCOCC4)C(=O)O; c1cc2c(c(c1)O)CC(C2NC(=O) c3cnc(cn3)NC4CCOCC4)C(=O)O; O=C(O)C1Cc2c (cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1 |
(1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38698 | QPA ZINC000098209337 |
0 | C6 H12 N O8 P S | InChI=1S/C6H12NO8PS/c1-6( 5(10)11,15-16(12,13)14)17 -2-3(7)4(8)9/h3H,2,7H2,1H 3,(H,8,9)(H,10,11)(H2,12, 13,14)/t3-,6-/m0/s1; SOTXSLHXKDYAQY-DZSWIPIPSA-N |
C[C](O[P](O)(O)=O)(SC[CH](N)C(O)=O)C(O)= O; O=C(O)C(OP(=O)(O)O)(SCC(C(=O)O)N)C; C C(C(=O)O)(OP(=O)(O)O)SCC(C(=O)O)N; C[C@] (O[P](O)(O)=O)(SC[C@H](N)C(O)=O)C(O)=O; C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O )N |
S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine |
| 38699 | QPB | 1 | C11 H12 O3 | InChI=1S/C11H12O3/c1-8(11 (13)14-2)7-9-3-5-10(12)6- 4-9/h3-7,12H,1-2H3/b8-7-; CPKCCIUDOPJZSI-FPLPWBNLSA-N |
COC(=O)C(C)=Cc1ccc(O)cc1; C/C(=C/c1ccc(c c1)O)/C(=O)OC; COC(=O)\C(C)=C/c1ccc(O)cc 1; CC(=Cc1ccc(cc1)O)C(=O)OC |
methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate |
| 38700 | QPC CHEMBL2442472 ZINC000095920976 |
2 | C24 H27 N5 O2 | InChI=1S/C24H27N5O2/c1-24 (2,3)15-27-20(30)13-16-9- 11-18(12-10-16)28-23-19(2 1(25)31)14-26-22(29-23)17 -7-5-4-6-8-17/h4-12,14H,1 3,15H2,1-3H3,(H2,25,31)(H ,27,30)(H,26,28,29); FTPBVAQEKZTHST-UHFFFAOYSA-N |
CC(C)(C)CNC(=O)Cc1ccc(Nc2nc(ncc2C(N)=O)c 3ccccc3)cc1; CC(C)(C)CNC(=O)Cc1ccc(cc1)N c2c(cnc(n2)c3ccccc3)C(=O)N; O=C(NCC(C)(C )C)Cc1ccc(cc1)Nc2nc(ncc2C(=O)N)c3ccccc3 |
4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide |
| 38701 | QPD ZINC000026224086 |
1 | C17 H16 N4 O2 | InChI=1S/C17H16N4O2/c18-1 6(22)15(11-6-2-1-3-7-11)2 0-21-17(23)13-10-19-14-9- 5-4-8-12(13)14/h1-10,15,1 9-20H,(H2,18,22)(H,21,23) /t15-/m1/s1; WSPHGVLLBKLDEN-OAHLLOKOSA-N |
NC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc12)c3cc ccc3; NC(=O)[CH](NNC(=O)c1c[nH]c2ccccc12 )c3ccccc3; c1ccc(cc1)[C@H](C(=O)N)NNC(=O )c2c[nH]c3c2cccc3; c2ccc3ncc(C(=O)NNC(c1 ccccc1)C(=O)N)c3c2; c1ccc(cc1)C(C(=O)N)N NC(=O)c2c[nH]c3c2cccc3 |
(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide |
| 38702 | QPE ZINC000001707194 |
1 | C11 H12 O2 | InChI=1S/C11H12O2/c1-9(11 (12)13-2)8-10-6-4-3-5-7-1 0/h3-8H,1-2H3/b9-8-; QILOUBBQVGUFNG-HJWRWDBZSA-N |
CC(=Cc1ccccc1)C(=O)OC; C/C(=C/c1ccccc1)/ C(=O)OC; COC(=O)\C(C)=C/c1ccccc1; COC(=O )C(C)=Cc1ccccc1 |
methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate |
| 38703 | QPF | 8 | C15 H10 O5 | InChI=1S/C15H10O5/c1-20-1 1-6-7(16)5-9-13(11)15(19) 12-8(14(9)18)3-2-4-10(12) 17/h2-6,16-17H,1H3; MKPXKUVNBNOJOI-UHFFFAOYSA-N |
COc1cc(cc2c1C(=O)c3c(cccc3O)C2=O)O; COc1 cc(O)cc2C(=O)c3cccc(O)c3C(=O)c12 |
1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione |
| 38704 | QPH ZINC000082056149 |
0 | C10 H11 N O3 | InChI=1S/C10H11NO3/c12-7- 11-9(10(13)14)6-8-4-2-1-3 -5-8/h1-5,7,9H,6H2,(H,11, 12)(H,13,14)/t9-/m0/s1; NSTPXGARCQOSAU-VIFPVBQESA-N |
c1ccc(cc1)CC(C(=O)O)NC=O; c1ccc(cc1)C[C@ @H](C(=O)O)NC=O; OC(=O)[CH](Cc1ccccc1)NC =O; OC(=O)[C@H](Cc1ccccc1)NC=O; O=C(O)C( NC=O)Cc1ccccc1 |
N-formyl-L-phenylalanine |
| 38705 | QPI CHEMBL381547 ZINC000000155677 |
6 | C10 H8 O2 | InChI=1S/C10H8O2/c11-8-5- 7-3-1-2-4-9(7)10(12)6-8/h 1-6,11-12H; XOOMNEFVDUTJPP-UHFFFAOYSA-N |
c1ccc2c(c1)cc(cc2O)O; Oc1cc(O)c2ccccc2c1 | naphthalene-1,3-diol; 1,3-Dihydroxynaphthalene |
| 38706 | QPJ | 11 | C5 H14 O10 P2 | InChI=1S/C5H14O10P2/c6-2- 1-5(15-17(11,12)13)4(7)3- 14-16(8,9)10/h4-7H,1-3H2, (H2,8,9,10)(H2,11,12,13)/ t4-,5+/m1/s1; BUWHXMOYXFBKFR-UHNVWZDZSA-N |
C(CO)C(C(COP(=O)(O)O)O)OP(=O)(O)O; P(O)( O)(OCC(O)C(CCO)OP(O)(O)=O)=O; C(CO)[C@@H ]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O; OCC[C H](O[P](O)(O)=O)[CH](O)CO[P](O)(O)=O; OC C[C@H](O[P](O)(O)=O)[C@H](O)CO[P](O)(O)= O |
2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol |
| 38707 | QPK ZINC000002381671 |
1 | C6 H3 Cl F2 O | InChI=1S/C6H3ClF2O/c7-3-1 -2-4(8)6(10)5(3)9/h1-2,10 H; CCLYWHXHYLQWQK-UHFFFAOYSA-N |
c1cc(c(c(c1F)O)F)Cl; Oc1c(F)ccc(Cl)c1F | 3-chloranyl-2,6-bis(fluoranyl)phenol |
| 38708 | QPL | 1 | C19 H17 N3 O5 | InChI=1S/C19H17N3O5/c23-8 -16-20-13-5-4-9(6-14(13)2 1-16)18(25)22-17-10-2-1-3 -15(24)11(10)7-12(17)19(2 6)27/h1-6,12,17,23-24H,7- 8H2,(H,20,21)(H,22,25)(H, 26,27)/t12-,17+/m1/s1; CXHYRAPCOSLYMC-PXAZEXFGSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc([ nH]4)CO)C(=O)O; OCc1[nH]c2ccc(cc2n1)C(=O )N[CH]3[CH](Cc4c(O)cccc34)C(O)=O; OCc1[n H]c2ccc(cc2n1)C(=O)N[C@@H]3[C@@H](Cc4c(O )cccc34)C(O)=O; O=C(O)C1Cc2c(cccc2O)C1NC (=O)c1cc2nc(CO)[NH]c2cc1; c1cc2c(c(c1)O) C[C@H]([C@H]2NC(=O)c3ccc4c(c3)nc([nH]4)C O)C(=O)O |
(1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38709 | QPM | 2 | C9 H19 N2 O | InChI=1S/C9H19N2O/c1-8(2) 5-7(10)6-9(3,4)11(8)12/h7 H,5-6,10H2,1-4H3/q-1; RJXZKBIIOCNSSQ-UHFFFAOYSA-N |
N1([O-])C(C)(C)CC(CC1(C)C)N; CC1(C)CC(N) CC(C)(C)N1[O-]; CC1(CC(CC(N1[O-])(C)C)N) C |
4-amino-2,2,6,6-tetramethylpiperidin-1-ol; 4-Amino-TEMPO |
| 38710 | QPN CHEMBL4853862 |
2 | C15 H16 F N3 O | InChI=1S/C15H16FN3O/c1-2- 15(20)18-7-6-14-11(10-18) 9-17-19(14)13-5-3-4-12(16 )8-13/h3-5,8-9H,2,6-7,10H 2,1H3; PBPQRCMCEYVHIP-UHFFFAOYSA-N |
CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1; CCC(= O)N1CCc2n(ncc2C1)c3cccc(F)c3 |
1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one |
| 38711 | QPO | 8 | C15 H10 O5 | InChI=1S/C15H10O5/c1-20-7 -5-9-13(11(17)6-7)15(19)1 2-8(14(9)18)3-2-4-10(12)1 6/h2-6,16-17H,1H3; ZMPLLBBFALVVAF-UHFFFAOYSA-N |
COc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1; CO c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O |
3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione |
| 38712 | QPP CHEMBL359482 DB08454 ZINC000016052235 |
2 | C18 H15 N5 | InChI=1S/C18H15N5/c1-12-1 1-16(23-22-12)20-18-14-9- 5-6-10-15(14)19-17(21-18) 13-7-3-2-4-8-13/h2-11H,1H 3,(H2,19,20,21,22,23); JYCUVOXSZBECAY-UHFFFAOYSA-N |
Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4; Cc1[nH]nc(Nc2nc(nc3ccccc23)c4ccccc4)c1; n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3 |
N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE; 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE |
| 38713 | QPQ | 1 | C20 H16 Cl F N2 O3 | InChI=1S/C20H16ClFN2O3/c1 -26-20(6-7-27-18-9-16(22) 15(21)8-14(18)20)19(25)24 -17-11-23-10-12-4-2-3-5-1 3(12)17/h2-5,8-11H,6-7H2, 1H3,(H,24,25)/t20-/m0/s1; FBLHAFJQTKYFLC-FQEVSTJZSA-N |
CO[C@]1(CCOc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc 4c3cccc4; CO[C]1(CCOc2cc(F)c(Cl)cc12)C(= O)Nc3cncc4ccccc34; Clc1cc2c(cc1F)OCCC2(O C)C(=O)Nc1cncc2ccccc21; CO[C@]1(CCOc2cc( F)c(Cl)cc12)C(=O)Nc3cncc4ccccc34; COC1(C COc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 |
(4S)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38714 | QPR CHEMBL4068840 ZINC000001400602 |
2 | C11 H11 N O | InChI=1S/C11H11NO/c1-8(13 )10-7-12(2)11-6-4-3-5-9(1 0)11/h3-7H,1-2H3; HYLFRICFKVJJOZ-UHFFFAOYSA-N |
Cn1cc(C(C)=O)c2ccccc12; CC(=O)c1cn(c2c1c ccc2)C |
1-(1-methylindol-3-yl)ethanone |
| 38715 | QPS | 0 | C25 H43 N O18 | InChI=1S/C25H43NO18/c1-6- 11(26-8-2-7(3-27)12(30)15 (33)13(8)31)14(32)19(37)2 4(40-6)43-22-10(5-29)42-2 5(20(38)17(22)35)44-21-9( 4-28)41-23(39)18(36)16(21 )34/h2,6,8-39H,3-5H2,1H3/ t6-,8+,9-,10-,11-,12-,13+ ,14+,15+,16-,17-,18-,19-, 20-,21-,22-,23-,24-,25-/m 1/s1; XUFXOAAUWZOOIT-SXARVLRPSA-N |
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C @H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[ C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H ]1N[C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@H]4O ; C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[ C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C @@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO) CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O )O)CO; CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3 C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O) O)O)CO; C[CH]1O[CH](O[CH]2[CH](O)[CH](O) [CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O )O[CH]3CO)[CH](O)[CH](O)[CH]1N[CH]4C=C(C O)[CH](O)[CH](O)[CH]4O; O(C1C(OC(O)C(O)C 1O)CO)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O )C2O)C(O)C3O)C(O)C4O)CO |
BETA-ACARBOSE; 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4) -alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose |
| 38716 | QPT | 16 | C6 H12 N2 O4 Pt | InChI=1S/C6H8O4.2H3N.Pt/c 7-4(8)6(5(9)10)2-1-3-6;;; /h1-3H2,(H,7,8)(H,9,10);2 *1H3;/q;;;+4/p-2; BHKICZDKIIDMNR-UHFFFAOYSA-L |
C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+] ; N|[Pt]1(|N)OC(=O)C2(CCC2)C(=O)O1 |
carboplatin |
| 38717 | QPU ZINC000064497509 |
4 | C19 H35 N O12 | InChI=1S/C19H35NO12/c1-5- 11(23)10(15(27)16(28)12(5 )24)20-9-6(2)31-19(17(29) 14(9)26)32-18-8(3-21)30-4 -7(22)13(18)25/h5-29H,3-4 H2,1-2H3/t5-,6+,7-,8+,9+, 10-,11+,12+,13+,14-,15-,1 6-,17+,18+,19+/m0/s1; NJMZSGBZXMLUCS-JMXNYNASSA-N |
O(C1C(OCC(O)C1O)CO)C3OC(C(NC2C(O)C(C)C(O )C(O)C2O)C(O)C3O)C; C[C@H]1O[C@H](O[C@H] 2[C@H](O)[C@@H](O)CO[C@@H]2CO)[C@H](O)[C @@H](O)[C@@H]1N[C@H]3[C@H](O)[C@H](C)[C@ @H](O)[C@H](O)[C@H]3O; CC1C(C(C(C(C1O)O) O)NC2C(OC(C(C2O)O)OC3C(OCC(C3O)O)CO)C)O; CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O )O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O) O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C) O; C[CH]1O[CH](O[CH]2[CH](O)[CH](O)CO[CH ]2CO)[CH](O)[CH](O)[CH]1N[CH]3[CH](O)[CH ](C)[CH](O)[CH](O)[CH]3O |
1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol |
| 38718 | QPV CHEMBL4636709 |
2 | C21 H23 Cl N2 O2 | InChI=1S/C21H23ClN2O2/c1- 2-13-23-20(26)21(11-4-12- 21)16-7-9-18(10-8-16)24-1 9(25)15-5-3-6-17(22)14-15 /h3,5-10,14H,2,4,11-13H2, 1H3,(H,23,26)(H,24,25); UIZYWUYIFDOVIY-UHFFFAOYSA-N |
C(C3(c1ccc(cc1)NC(c2cccc(c2)Cl)=O)CCC3)( NCCC)=O; CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(= O)c3cccc(c3)Cl; CCCNC(=O)C1(CCC1)c2ccc(N C(=O)c3cccc(Cl)c3)cc2 |
3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide |
| 38719 | QPW | 1 | C24 H28 Cl N3 O4 | InChI=1S/C24H28ClN3O4/c1- 3-8-28(14-17-7-9-31-15-17 )23(29)18-11-20-22(21(12- 18)30-2)32-24(27-20)26-13 -16-5-4-6-19(25)10-16/h4- 6,10-12,17H,3,7-9,13-15H2 ,1-2H3,(H,26,27)/t17-/m0/ s1; RYXSWCUDMULFML-KRWDZBQOSA-N |
CCCN(C[CH]1CCOC1)C(=O)c2cc(OC)c3oc(NCc4c ccc(Cl)c4)nc3c2; CCCN(CC1CCOC1)C(=O)c2cc 3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl; CCCN(C[ C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NC c4cccc(c4)Cl; CCCN(C[C@@H]1CCOC1)C(=O)c2 cc(OC)c3oc(NCc4cccc(Cl)c4)nc3c2 |
2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide |
| 38720 | QPX | 2 | C19 H17 N3 O5 | InChI=1S/C19H17N3O5/c23-8 -16-20-13-5-4-9(6-14(13)2 1-16)18(25)22-17-10-2-1-3 -15(24)11(10)7-12(17)19(2 6)27/h1-6,12,17,23-24H,7- 8H2,(H,20,21)(H,22,25)(H, 26,27)/t12-,17+/m0/s1; CXHYRAPCOSLYMC-YVEFUNNKSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc([ nH]4)CO)C(=O)O; OCc1[nH]c2ccc(cc2n1)C(=O )N[CH]3[CH](Cc4c(O)cccc34)C(O)=O; O=C(O) C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2c c1; c1cc2c(c(c1)O)C[C@@H]([C@@H]2NC(=O)c 3ccc4c(c3)nc([nH]4)CO)C(=O)O; OCc1[nH]c2 ccc(cc2n1)C(=O)N[C@H]3[C@H](Cc4c(O)cccc3 4)C(O)=O |
(1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38721 | QPY | 2 | C24 H25 N9 O5 | InChI=1S/C24H25N9O5/c25-1 9-17-21(28-12-27-19)32(13 -29-17)10-8-26-22(35)16-1 8(34)23(36)31-20(30-16)15 -7-4-9-33(15)24(37)38-11- 14-5-2-1-3-6-14/h1-3,5-6, 12-13,15,34H,4,7-11H2,(H, 26,35)(H2,25,27,28)(H,30, 31,36)/t15-/m0/s1; GEKIERMMQOYZBF-HNNXBMFYSA-N |
Nc1ncnc2n(CCNC(=O)C3=C(O)C(=O)NC(=N3)[CH ]4CCCN4C(=O)OCc5ccccc5)cnc12; Nc1ncnc2n( CCNC(=O)C3=C(O)C(=O)NC(=N3)[C@@H]4CCCN4C (=O)OCc5ccccc5)cnc12; C(c1ccccc1)OC(N5C( C=4NC(=O)C(O)=C(C(=O)NCCn3cnc2c(ncnc23)N )N=4)CCC5)=O; c1ccc(cc1)COC(=O)N2CCCC2C3 =NC(=C(C(=O)N3)O)C(=O)NCCn4cnc5c4ncnc5N; c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C( =O)N3)O)C(=O)NCCn4cnc5c4ncnc5N |
benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate |
| 38722 | QPZ ZINC000004742974 |
2 | C18 H18 N2 O3 S | InChI=1S/C18H18N2O3S/c1-1 3-10-18(21)20(2)17-9-8-15 (11-16(13)17)24(22,23)19- 12-14-6-4-3-5-7-14/h3-11, 19H,12H2,1-2H3; KBXRBUMRPUNHEH-UHFFFAOYSA-N |
CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3 ccccc3; CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O) NCc3ccccc3)C |
1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide |
| 38723 | QQ0 | 1 | C10 H13 N O3 S2 | InChI=1S/C10H13NO3S2/c1-1 1(6-7-15)16(13,14)10-4-2- 9(8-12)3-5-10/h2-5,8,15H, 6-7H2,1H3; KNWFTJYSHVWZRU-UHFFFAOYSA-N |
CN(CCS)S(=O)(=O)c1ccc(cc1)C=O; CN(CCS)[S ](=O)(=O)c1ccc(C=O)cc1 |
4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide |
| 38724 | QQ1 CHEMBL1079589 ZINC000038625904 |
1 | C21 H22 N6 S | InChI=1S/C21H22N6S/c22-19 -17-20(24-12-23-19)28-21( 26-17)18-16(15-9-5-2-6-10 -15)25-13-27(18)11-14-7-3 -1-4-8-14/h2,5-6,9-10,12- 14H,1,3-4,7-8,11H2,(H2,22 ,23,24); FACMGTJQTMTYEF-UHFFFAOYSA-N |
n1c(c2nc(sc2nc1)c3c(ncn3CC4CCCCC4)c5cccc c5)N; c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc 5c(ncnc5s4)N; Nc1ncnc2sc(nc12)c3n(CC4CCC CC4)cnc3c5ccccc5 |
2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE |
| 38725 | QQ2 ZINC000000602482 |
2 | C24 H27 Cl N6 O2 | InChI=1S/C24H27ClN6O2/c1- 17-4-9-21(25)22(12-17)31( 11-10-26)24-13-23(27-16-2 8-24)29-18-5-7-20(8-6-18) 33-15-19(32)14-30(2)3/h4- 9,12-13,16,19,32H,11,14-1 5H2,1-3H3,(H,27,28,29)/t1 9-/m1/s1; FIRZNFNHYVXQPP-LJQANCHMSA-N |
Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3) OCC(CN(C)C)O)Cl; Clc1ccc(cc1N(c3ncnc(Nc2 ccc(OCC(O)CN(C)C)cc2)c3)CC#N)C; Cc1ccc(c (c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H] (CN(C)C)O)Cl; CN(C)C[CH](O)COc1ccc(Nc2cc (ncn2)N(CC#N)c3cc(C)ccc3Cl)cc1; CN(C)C[C @@H](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3cc(C) ccc3Cl)cc1 |
[(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE |
| 38726 | QQ3 ZINC000058650456 |
2 | C18 H18 N2 O4 | InChI=1S/C18H18N2O4/c1-3- 6-11(9-14(21)22)20-17(23) 15-10(2)19-13-8-5-4-7-12( 13)16(15)18(20)24/h4-5,7- 8,11H,3,6,9H2,1-2H3,(H,21 ,22)/t11-/m1/s1; AZYBNXOGXCANBA-LLVKDONJSA-N |
CCC[CH](CC(O)=O)N1C(=O)c2c(C)nc3ccccc3c2 C1=O; CCC[C@H](CC(O)=O)N1C(=O)c2c(C)nc3c cccc3c2C1=O; CCCC(CC(=O)O)N1C(=O)c2c(nc3 ccccc3c2C1=O)C; O=C(O)CC(N3C(=O)c2c(nc1c cccc1c2C3=O)C)CCC; CCC[C@H](CC(=O)O)N1C( =O)c2c(nc3ccccc3c2C1=O)C |
(3R)-3-(4-METHYL-1,3-DIOXO-1,3-DIHYDRO-2H-PYRROLO[3,4-C]QUINOLIN-2-YL)HEXANOIC ACID |
| 38727 | QQ4 | 37 | C36 H56 N6 O6 | InChI=1S/C36H56N6O6/c1-26 (38-16-3-9-32(38)44)22-28 (40-18-5-11-34(40)46)24-3 0(42-20-7-13-36(42)48)25- 29(41-19-6-12-35(41)47)23 -27(39-17-4-10-33(39)45)1 4-21-37-15-2-8-31(37)43/h 26-30H,2-25H2,1H3/t26-,27 -,28+,29-,30-/m1/s1; OFPQNVWJHZVWCZ-CMPUJJQDSA-N |
C[CH](C[CH](C[CH](C[CH](C[CH](CCN1CCCC1= O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5= O)N6CCCC6=O; CC(CC(CC(CC(CC(CCN1CCCC1=O) N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O) N6CCCC6=O; C[C@H](C[C@@H](C[C@H](C[C@@H] (C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O )N4CCCC4=O)N5CCCC5=O)N6CCCC6=O; C(CC(CC( N1CCCC1=O)CC(N2C(CCC2)=O)CC(N3CCCC3=O)CC (C)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O |
Hexa Vinylpyrrolidone K15; 1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one) |
| 38728 | QQ5 CHEMBL4778975 |
1 | C22 H24 Cl N3 O4 | InChI=1S/C22H24ClN3O4/c1- 13-12-26(7-6-18(13)27)21( 28)15-9-17-20(19(10-15)29 -2)30-22(25-17)24-11-14-4 -3-5-16(23)8-14/h3-5,8-10 ,13,18,27H,6-7,11-12H2,1- 2H3,(H,24,25)/t13-,18-/m1 /s1; FGVGNBBKQBWTHH-FZKQIMNGSA-N |
C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC )oc(n3)NCc4cccc(c4)Cl; COc1cc(cc2nc(NCc3 cccc(Cl)c3)oc12)C(=O)N4CC[CH](O)[CH](C)C 4; COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O )N4CC[C@@H](O)[C@H](C)C4; CC1CN(CCC1O)C( =O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl |
[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone |
| 38729 | QQ6 | 1 | C19 H15 Cl N2 O S | InChI=1S/C19H15ClN2OS/c20 -13-5-6-18-16(9-13)15(7-8 -24-18)19(23)22-17-11-21- 10-12-3-1-2-4-14(12)17/h1 -6,9-11,15H,7-8H2,(H,22,2 3)/t15-/m1/s1; UTAUZKDGXZMBJU-OAHLLOKOSA-N |
Clc1ccc2SCC[C@@H](C(=O)Nc3cncc4ccccc34)c 2c1; Clc1ccc2SCC[CH](C(=O)Nc3cncc4ccccc3 4)c2c1; c1ccc2c(c1)cncc2NC(=O)C3CCSc4c3c c(cc4)Cl; c1ccc2c(c1)cncc2NC(=O)[C@@H]3C CSc4c3cc(cc4)Cl; Clc1ccc2SCCC(c2c1)C(=O) Nc1cncc2ccccc21 |
(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide |
| 38730 | QQ7 CHEMBL3770339 |
62 | C42 H42 N28 O14 | InChI=1S/C42H42N28O14/c71 -29-43-1-44-16-18-48(30(4 4)72)4-52-20-22-56(34(52) 76)8-60-24-26-64(38(60)80 )12-68-28-27-67(41(68)83) 11-63-25-23-59(37(63)79)7 -55-21-19-51(33(55)75)3-4 7(29)17-15(43)45-2-46(16) 32(74)50(18)6-54(20)36(78 )58(22)10-62(24)40(82)66( 26)14-70(28)42(84)69(27)1 3-65(25)39(81)61(23)9-57( 21)35(77)53(19)5-49(17)31 (45)73/h15-28H,1-14H2/t15 -,16+,17+,18-,19-,20+,21+ ,22-,23-,24+,25+,26-,27-, 28+; ZDOBFUIMGBWEAB-XGFHMVPTSA-N |
O=C1[N]2C[N]3C4C5[N](C[N]6C7C8[N](C[N]9C %10C%11[N](C[N]%12C%13C%14[N](C[N]%15C%1 6C%17[N](C[N]%18C%19C%20[N](C[N]1C%21C2N %22CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN% 13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20C N%21C%22=O)C%18=O)C%15=O)C%12=O)C9=O)C6= O)C3=O; O=C1[N@@]2C[N@]3C4C5[N@](C[N@]6C 7C8[N@](C[N@]9C%10C%11[N@](C[N@]%12C%13C %14[N@](C[N@]%15C%16C%17[N@](C[N@]%18C%1 9C%20[N@](C[N@]1C%21C2N%22CN4C(=O)N5CN7C (=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C (=O)N%17CN%19C(=O)N%20CN%21C%22=O)C%18=O )C%15=O)C%12=O)C9=O)C6=O)C3=O; C1N2C3C4N (C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C %10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N (C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(= O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12 CN%13C(=O)N%14CN%15C1=O |
cucurbit[7]uril |
| 38731 | QQ8 | 0 | C6 H13 N3 O3 | InChI=1S/C6H13N3O3/c7-4(1 -2-5(8)10)3-9-6(11)12/h4, 9H,1-3,7H2,(H2,8,10)(H,11 ,12)/t4-/m0/s1; MISYRPXYMKXXTM-BYPYZUCNSA-N |
N[CH](CCC(N)=O)CNC(O)=O; N[C@@H](CCC(N)= O)CNC(O)=O; C(CC(=O)N)[C@@H](CNC(=O)O)N; C(CC(=O)N)C(CNC(=O)O)N |
(4~{S})-4-azanyl-5-formamido-pentanamide |
| 38732 | QQ9 | 1 | C14 H15 N3 O3 | InChI=1S/C14H15N3O3/c18-1 3(17-7-1-2-9(8-17)14(19)2 0)11-4-6-16-12-10(11)3-5- 15-12/h3-6,9H,1-2,7-8H2,( H,15,16)(H,19,20)/t9-/m1/ s1; ZNXPXZYKUWUFEH-SECBINFHSA-N |
c1c[nH]c2c1c(ccn2)C(=O)N3CCC[C@H](C3)C(= O)O; OC(=O)[CH]1CCCN(C1)C(=O)c2ccnc3[nH] ccc23; OC(=O)[C@@H]1CCCN(C1)C(=O)c2ccnc3 [nH]ccc23; O=C(c1ccnc2[NH]ccc21)N1CCCC(C 1)C(=O)O; c1c[nH]c2c1c(ccn2)C(=O)N3CCCC( C3)C(=O)O |
(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid |
| 38733 | QQA CHEMBL1242830 ZINC000064532059 |
1 | C23 H24 Cl2 N8 O3 | InChI=1S/C23H24Cl2N8O3/c1 -31-10-11-32(21(34)13-31) 17-4-6-19(29-22(17)15-3-2 -14(24)12-16(15)25)27-8-9 -28-20-7-5-18(33(35)36)23 (26)30-20/h2-7,12H,8-11,1 3H2,1H3,(H,27,29)(H3,26,2 8,30); KLSRELDSEJWOAS-UHFFFAOYSA-N |
CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)N CCNc4ccc(c(n4)N)[N+](=O)[O-]; CN1CC(=O)N (CC1)c1ccc(NCCNc2ccc([N+]([O-])=O)c(N)n2 )nc1c1ccc(Cl)cc1Cl; CN1CCN(C(=O)C1)c2ccc (NCCNc3ccc(c(N)n3)[N+]([O-])=O)nc2c4ccc( Cl)cc4Cl |
1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one |
| 38734 | QQB | 0 | C14 H16 N2 O2 | InChI=1S/C14H16N2O2/c15-1 2(9-16-14(17)18)8-11-6-3- 5-10-4-1-2-7-13(10)11/h1- 7,12,16H,8-9,15H2,(H,17,1 8)/t12-/m0/s1; MYAGWVBNZBWFOS-LBPRGKRZSA-N |
c1ccc2c(c1)cccc2CC(CNC(=O)O)N; N[C@H](CN C(O)=O)Cc1cccc2ccccc12; c1ccc2c(c1)cccc2 C[C@@H](CNC(=O)O)N; N[CH](CNC(O)=O)Cc1cc cc2ccccc12 |
~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide |
| 38735 | QQC CHEMBL2107823 DB13040 ZINC000068245097 |
2 | C23 H25 Cl F N7 O | InChI=1S/C23H25ClFN7O/c1- 14-9-21(29-28-14)27-22-11 -17(13-31-5-7-33-8-6-31)2 3-26-15(2)20(32(23)30-22) 10-16-3-4-18(24)12-19(16) 25/h3-4,9,11-12H,5-8,10,1 3H2,1-2H3,(H2,27,28,29,30 ); SQSZANZGUXWJEA-UHFFFAOYSA-N |
Cc1[nH]nc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5cc c(Cl)cc5F)n4n2)c1; Cc1cc(n[nH]1)Nc2cc(c3 nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5 |
3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine |
| 38736 | QQD CHEMBL5276531 |
3 | C23 H23 N3 O2 | InChI=1S/C23H23N3O2/c1-23 (2)19-7-3-4-8-20(19)26(21 (23)18-6-5-13-24-14-18)15 -16-9-11-17(12-10-16)22(2 7)25-28/h3-14,21,28H,15H2 ,1-2H3,(H,25,27)/t21-/m1/ s1; HGCZGYHCBRKJNB-OAQYLSRUSA-N |
CC1(C)[CH](N(Cc2ccc(cc2)C(=O)NO)c3ccccc1 3)c4cccnc4; c1ncccc1C4C(C)(c2ccccc2N4Cc3 ccc(cc3)C(NO)=O)C; CC1(c2ccccc2N(C1c3ccc nc3)Cc4ccc(cc4)C(=O)NO)C; CC1(C)[C@H](N( Cc2ccc(cc2)C(=O)NO)c3ccccc13)c4cccnc4; C C1(c2ccccc2N([C@@H]1c3cccnc3)Cc4ccc(cc4) C(=O)NO)C |
4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide |
| 38737 | QQE CHEMBL4786634 |
1 | C24 H28 Cl N3 O5 | InChI=1S/C24H28ClN3O5/c1- 14-12-28(19(7-8-29)13-32- 14)23(30)17-10-20-22(21(1 1-17)31-3)33-24(27-20)26- 15(2)16-5-4-6-18(25)9-16/ h4-6,9-11,14-15,19,29H,7- 8,12-13H2,1-3H3,(H,26,27) /t14-,15+,19-/m0/s1; DMTPPQGUBJBLMN-KHYOSLBOSA-N |
COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12) C(=O)N4C[C@H](C)OC[C@@H]4CCO; C[C@H]1CN( [C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3) N[C@H](C)c4cccc(c4)Cl; COc1cc(cc2nc(N[CH ](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[ CH]4CCO; CC1CN(C(CO1)CCO)C(=O)c2cc3c(c(c 2)OC)oc(n3)NC(C)c4cccc(c4)Cl |
[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
| 38738 | QQF | 1 | C21 H19 Cl2 N3 O3 | InChI=1S/C21H19Cl2N3O3/c1 -21(26-19(27)12-29-2,14-7 -8-16(22)17(23)9-14)20(28 )25-18-11-24-10-13-5-3-4- 6-15(13)18/h3-11H,12H2,1- 2H3,(H,25,28)(H,26,27)/t2 1-/m1/s1; MDXYQARUSPNBMR-OAQYLSRUSA-N |
Clc1ccc(cc1Cl)C(C)(NC(=O)COC)C(=O)Nc1cnc c2ccccc21; COCC(=O)N[C@@](C)(C(=O)Nc1cnc c2ccccc12)c3ccc(Cl)c(Cl)c3; C[C@@](c1ccc (c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O) COC; CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c 2cccc3)NC(=O)COC; COCC(=O)N[C](C)(C(=O)N c1cncc2ccccc12)c3ccc(Cl)c(Cl)c3 |
2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide |
| 38739 | QQG CHEMBL4790744 |
1 | C21 H25 N3 O2 | InChI=1S/C21H25N3O2/c1-23 -15-21(18-4-2-3-5-19(18)2 3)10-12-24(13-11-21)14-16 -6-8-17(9-7-16)20(25)22-2 6/h2-9,26H,10-15H2,1H3,(H ,22,25); KRAFQDJIYXJLQM-UHFFFAOYSA-N |
C4C1(c2c(N(C1)C)cccc2)CCN(Cc3ccc(cc3)C(N O)=O)C4; CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O) NO)c4ccccc14; CN1CC2(CCN(CC2)Cc3ccc(cc3) C(=O)NO)c4c1cccc4 |
N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide |
| 38740 | QQH | 2 | C19 H23 N2 O3 S | InChI=1S/C19H22N2O3S/c1-1 1-6-5-7-13(12(11)2)8-14-9 -16(22)21-15(19(23)24)10- 25-18(21)17(14)20(3)4/h5- 7,9,15H,8,10H2,1-4H3,(H,2 3,24)/p+1/t15-/m0/s1; ROYOKFGWFIQXTM-HNNXBMFYSA-O |
C[NH+](C)C1=C2SC[C@H](N2C(=O)C=C1Cc3cccc (C)c3C)C(O)=O; Cc1cccc(c1C)CC2=CC(=O)N3C (CSC3=C2[NH+](C)C)C(=O)O; Cc1cccc(c1C)CC 2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O ; C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3ccc c(C)c3C)C(O)=O |
[(3~{R})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium |
| 38741 | QQI | 1 | C20 H20 N4 O5 | InChI=1S/C20H20N4O5/c25-1 5-3-1-2-12-13(15)8-14(19( 27)28)17(12)24-18(26)10-4 -7-16(21-9-10)23-20(29)22 -11-5-6-11/h1-4,7,9,11,14 ,17,25H,5-6,8H2,(H,24,26) (H,27,28)(H2,21,22,23,29) /t14-,17+/m1/s1; GOCJXWMVGSTUHD-PBHICJAKSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(nc3)NC(=O )NC4CC4)C(=O)O; O=C(Nc1ccc(cn1)C(=O)NC1c 2cccc(O)c2CC1C(=O)O)NC1CC1; OC(=O)[C@@H] 1Cc2c(O)cccc2[C@@H]1NC(=O)c3ccc(NC(=O)NC 4CC4)nc3; c1cc2c(c(c1)O)C[C@H]([C@H]2NC( =O)c3ccc(nc3)NC(=O)NC4CC4)C(=O)O; OC(=O) [CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O) NC4CC4)nc3 |
(1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38742 | QQJ CHEMBL4094927 |
9 | C25 H24 F N5 O2 S | InChI=1S/C25H24FN5O2S/c1- 4-22(32)28-18-9-10-20(33- 2)19(14-18)29-21-13-16(11 -12-27-21)24-23(30-25(31- 24)34-3)15-5-7-17(26)8-6- 15/h5-14H,4H2,1-3H3,(H,27 ,29)(H,28,32)(H,30,31); MALZDUNFVXBWQG-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH ]3)SC)c4ccc(cc4)F)OC; c1(ccc(cc1)c4c(c3c c(Nc2c(ccc(c2)NC(=O)CC)OC)ncc3)nc(n4)SC) F; CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)c3[nH]c (SC)nc3c4ccc(F)cc4)c1 |
N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide |
| 38743 | QQK CHEMBL4749829 |
1 | C26 H32 Cl N3 O5 | InChI=1S/C26H32ClN3O5/c1- 5-20-14-34-26(3,9-10-31)1 5-30(20)24(32)18-12-21-23 (22(13-18)33-4)35-25(29-2 1)28-16(2)17-7-6-8-19(27) 11-17/h6-8,11-13,16,20,31 H,5,9-10,14-15H2,1-4H3,(H ,28,29)/t16-,20-,26+/m1/s 1; BTECQOSHYUCFMD-YPXVIYJXSA-N |
CC[C@@H]1CO[C@@](C)(CCO)CN1C(=O)c2cc(OC) c3oc(N[C@H](C)c4cccc(Cl)c4)nc3c2; CCC1CO C(CN1C(=O)c2cc3c(c(c2)OC)oc(n3)NC(C)c4cc cc(c4)Cl)(C)CCO; CC[C@@H]1CO[C@@](CN1C(= O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c 4)Cl)(C)CCO; CC[CH]1CO[C](C)(CCO)CN1C(=O )c2cc(OC)c3oc(N[CH](C)c4cccc(Cl)c4)nc3c2 |
[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
| 38744 | QQL | 2 | C24 H33 N5 O6 | InChI=1S/C24H33N5O6/c1-14 (2)11-19(28-24(32)20-13-1 7-18(27-20)5-4-6-21(17)35 -3)23(31)26-16(8-10-29(33 )34)12-15-7-9-25-22(15)30 /h4-6,13-16,19,27H,7-12H2 ,1-3H3,(H,25,30)(H,26,31) (H,28,32)/t15-,16+,19-/m0 /s1; FFTZSDWTZYJKTH-FCEWJHQRSA-N |
CC(C)C[C@@H](C(=O)N[C@H](CC[N+](=O)[O-]) C[C@@H]1CCNC1=O)NC(=O)c2cc3c([nH]2)cccc3 OC; CC(C)CC(C(=O)NC(CC[N+](=O)[O-])CC1CC NC1=O)NC(=O)c2cc3c([nH]2)cccc3OC; COc1cc cc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[C H](CC[N+]([O-])=O)C[CH]3CCNC3=O; COc1ccc c2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[ C@H](CC[N+]([O-])=O)C[C@@H]3CCNC3=O |
4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide |
| 38745 | QQM CHEMBL4090686 |
9 | C27 H28 F N5 O3 | InChI=1S/C27H28FN5O3/c1-3 -25(35)30-20-10-11-22(36- 2)21(16-20)31-24-15-18(12 -13-29-24)27-26(17-6-8-19 (28)9-7-17)32-23(33-27)5- 4-14-34/h6-13,15-16,34H,3 -5,14H2,1-2H3,(H,29,31)(H ,30,35)(H,32,33); QQVFPBLJZZDHSS-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH ]3)CCCO)c4ccc(cc4)F)OC; c4c(ccc(c1nc(CCC O)nc1c2cc(ncc2)Nc3c(ccc(NC(CC)=O)c3)OC)c 4)F; CCC(=O)Nc1ccc(OC)c(Nc2cc(ccn2)c3[nH ]c(CCCO)nc3c4ccc(F)cc4)c1 |
N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide |
| 38746 | QQN | 1 | C22 H24 Cl N3 O4 | InChI=1S/C22H24ClN3O4/c1- 13-12-26(7-6-17(13)27)21( 28)15-9-18(29-2)20-19(10- 15)30-22(25-20)24-11-14-4 -3-5-16(23)8-14/h3-5,8-10 ,13,17,27H,6-7,11-12H2,1- 2H3,(H,24,25)/t13-,17-/m1 /s1; KWIHKRFBOTYCIM-CXAGYDPISA-N |
COc1cc(cc2oc(NCc3cccc(Cl)c3)nc12)C(=O)N4 CC[CH](O)[CH](C)C4; COc1cc(cc2oc(NCc3ccc c(Cl)c3)nc12)C(=O)N4CC[C@@H](O)[C@H](C)C 4; CC1CN(CCC1O)C(=O)c2cc3c(c(c2)OC)nc(o3 )NCc4cccc(c4)Cl; C[C@@H]1CN(CC[C@H]1O)C( =O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl |
[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone |
| 38747 | QQO | 1 | C26 H28 Cl2 N4 O3 | InChI=1S/C26H28Cl2N4O3/c1 -16(2)32-10-11-35-23(15-3 2)24(33)31-26(3,18-8-9-20 (27)21(28)12-18)25(34)30- 22-14-29-13-17-6-4-5-7-19 (17)22/h4-9,12-14,16,23H, 10-11,15H2,1-3H3,(H,30,34 )(H,31,33)/t23-,26-/m1/s1; LWLQXUAOFURQPB-ZEQKJWHPSA-N |
CC(C)N1CCOC(C1)C(=O)NC(C)(c2ccc(c(c2)Cl) Cl)C(=O)Nc3cncc4c3cccc4; CC(C)N1CC(OCC1) C(=O)NC(C)(c1ccc(Cl)c(Cl)c1)C(=O)Nc1cncc 2ccccc21; CC(C)N1CCO[CH](C1)C(=O)N[C](C) (C(=O)Nc2cncc3ccccc23)c4ccc(Cl)c(Cl)c4; CC(C)N1CCO[C@H](C1)C(=O)N[C@@](C)(C(=O)N c2cncc3ccccc23)c4ccc(Cl)c(Cl)c4; CC(C)N1 CCO[C@H](C1)C(=O)N[C@](C)(c2ccc(c(c2)Cl) Cl)C(=O)Nc3cncc4c3cccc4 |
(2R)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-4-(propan-2-yl)morpholine-2-carboxamide |
| 38748 | QQP CHEMBL5424453 |
2 | C19 H15 F3 N8 O3 | InChI=1S/C19H15F3N8O3/c20 -19(21,22)10-4-2-1-3-9(10 )15-28-11(13(31)18(33)29- 15)17(32)24-5-6-30-8-27-1 2-14(23)25-7-26-16(12)30/ h1-4,7-8,31H,5-6H2,(H,24, 32)(H2,23,25,26)(H,28,29, 33); ZTWYJHUWLVITMU-UHFFFAOYSA-N |
n3cn(CCNC(C2=C(C(NC(c1ccccc1C(F)(F)F)=N2 )=O)O)=O)c4c3c(N)ncn4; Nc1ncnc2n(CCNC(=O )C3=C(O)C(=O)NC(=N3)c4ccccc4C(F)(F)F)cnc 12; c1ccc(c(c1)C2=NC(=C(C(=O)N2)O)C(=O)N CCn3cnc4c3ncnc4N)C(F)(F)F |
N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide |
| 38749 | QQQ CHEMBL1235574 ZINC000169362726 |
4 | C10 H12 N2 O3 S | InChI=1S/C10H12N2O3S/c1-7 (2)12-9-6-4-3-5-8(9)11-10 (12)16(13,14)15/h3-7H,1-2 H3,(H,13,14,15); ZSZNPVDVEUJQJS-UHFFFAOYSA-N |
O=S(=O)(O)c2nc1ccccc1n2C(C)C; CC(C)n1c2c cccc2nc1[S](O)(=O)=O; CC(C)n1c2ccccc2nc1 S(=O)(=O)O |
1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid |
| 38750 | QQR | 1 | C20 H20 N4 O5 | InChI=1S/C20H20N4O5/c25-1 5-3-1-2-12-13(15)8-14(19( 27)28)17(12)24-18(26)10-4 -7-16(21-9-10)23-20(29)22 -11-5-6-11/h1-4,7,9,11,14 ,17,25H,5-6,8H2,(H,24,26) (H,27,28)(H2,21,22,23,29) /t14-,17+/m0/s1; GOCJXWMVGSTUHD-WMLDXEAASA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(nc3)NC(=O )NC4CC4)C(=O)O; c1cc2c(c(c1)O)C[C@@H]([C @@H]2NC(=O)c3ccc(nc3)NC(=O)NC4CC4)C(=O)O ; O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C (=O)O)NC1CC1; OC(=O)[CH]1Cc2c(O)cccc2[CH ]1NC(=O)c3ccc(NC(=O)NC4CC4)nc3; OC(=O)[C @H]1Cc2c(O)cccc2[C@H]1NC(=O)c3ccc(NC(=O) NC4CC4)nc3 |
(1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38751 | QQS | 2 | C31 H49 N5 O2 | InChI=1S/C31H49N5O2/c1-23 (2)36-18-13-25(14-19-36)3 4(3)31-26-21-28(37-4)29(3 8-20-10-17-35-15-8-9-16-3 5)22-27(26)32-30(33-31)24 -11-6-5-7-12-24/h21-25H,5 -20H2,1-4H3; ATORKVYCKKBNTF-UHFFFAOYSA-N |
CC(C)N1CCC(CC1)N(C)c2c3cc(c(cc3nc(n2)C4C CCCC4)OCCCN5CCCC5)OC; COc1cc2c(cc1OCCCN3 CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5 |
2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine |
| 38752 | QQT CHEMBL4763593 |
1 | C24 H27 Cl F N3 O5 | InChI=1S/C24H27ClFN3O5/c1 -14-12-29(18(6-7-30)13-33 -14)23(31)16-9-19-22(21(1 0-16)32-2)34-24(27-19)28- 20(11-26)15-4-3-5-17(25)8 -15/h3-5,8-10,14,18,20,30 H,6-7,11-13H2,1-2H3,(H,27 ,28)/t14-,18-,20+/m0/s1; PLMHHBJXBHCBMU-ADLFWFRXSA-N |
C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2 )OC)oc(n3)N[C@H](CF)c4cccc(c4)Cl; COc1cc (cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O) N4C[C@H](C)OC[C@@H]4CCO; CC1CN(C(CO1)CCO )C(=O)c2cc3c(c(c2)OC)oc(n3)NC(CF)c4cccc( c4)Cl; COc1cc(cc2nc(N[CH](CF)c3cccc(Cl)c 3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO |
[2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
| 38753 | QQU | 1 | C29 H28 Cl N5 O3 | InChI=1S/C29H28ClN5O3/c30 -21-8-9-26-23(13-21)29(10 -12-38-26,28(37)34-24-18- 31-15-19-5-1-2-6-22(19)24 )14-27(36)35-11-4-3-7-25( 35)20-16-32-33-17-20/h1-2 ,5-6,8-9,13,15-18,25H,3-4 ,7,10-12,14H2,(H,32,33)(H ,34,37)/t25-,29+/m1/s1; PJTWPJYCTTZBKW-IRPSRAIASA-N |
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(c c4)Cl)CC(=O)N5CCCC[C@@H]5c6c[nH]nc6; c1c cc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)C C(=O)N5CCCCC5c6c[nH]nc6; Clc1ccc2OCCC(CC (=O)N3CCCCC3c3c[NH]nc3)(c2c1)C(=O)Nc1cnc c2ccccc21; Clc1ccc2OCC[C](CC(=O)N3CCCC[C H]3c4c[nH]nc4)(C(=O)Nc5cncc6ccccc56)c2c1 ; Clc1ccc2OCC[C@@](CC(=O)N3CCCC[C@@H]3c4 c[nH]nc4)(C(=O)Nc5cncc6ccccc56)c2c1 |
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38754 | QQV | 1 | C19 H25 N3 O5 S | InChI=1S/C19H25N3O5S/c20- 6-7-21-18(23)16-12-15(28( 25,26)14-4-2-1-3-5-14)13- 17(16)19(24)22-8-10-27-11 -9-22/h1-6,15-17,20H,7-13 H2,(H,21,23)/b20-6+/t15-, 16-,17-/m1/s1; XITNEGQOZBCTJS-AFLVBBNASA-N |
[H]/N=C/CNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O )N2CCOCC2)S(=O)(=O)c3ccccc3; O=C(N1CCOCC 1)C3CC(S(=O)(=O)c2ccccc2)CC3C(=O)NCC=[N@ H]; c1ccc(cc1)S(=O)(=O)C2CC(C(C2)C(=O)N3 CCOCC3)C(=O)NCC=N; N=CCNC(=O)[C@@H]1C[C@ H](C[C@H]1C(=O)N2CCOCC2)[S](=O)(=O)c3ccc cc3; N=CCNC(=O)[CH]1C[CH](C[CH]1C(=O)N2C COCC2)[S](=O)(=O)c3ccccc3 |
(1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide |
| 38755 | QQW CHEMBL4758225 |
1 | C24 H28 Cl N3 O5 | InChI=1S/C24H28ClN3O5/c1- 14-12-28(19(7-8-29)13-32- 14)23(30)17-10-20-22(21(1 1-17)31-3)33-24(27-20)26- 15(2)16-5-4-6-18(25)9-16/ h4-6,9-11,14-15,19,29H,7- 8,12-13H2,1-3H3,(H,26,27) /t14-,15-,19-/m1/s1; DMTPPQGUBJBLMN-SPYBWZPUSA-N |
COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C (=O)N4C[CH](C)OC[CH]4CCO; C[C@@H]1CN([C@ @H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[ C@H](C)c4cccc(c4)Cl; COc1cc(cc2nc(N[C@H] (C)c3cccc(Cl)c3)oc12)C(=O)N4C[C@@H](C)OC [C@H]4CCO; CC1CN(C(CO1)CCO)C(=O)c2cc3c(c (c2)OC)oc(n3)NC(C)c4cccc(c4)Cl |
[2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
| 38756 | QQX | 1 | C10 H12 N5 O5 P S | InChI=1S/C10H12N5O5PS/c11 -8-5-9(13-2-12-8)15(3-14- 5)10-7-6(4(1-16)18-10)19- 21(17,22)20-7/h2-4,6-7,10 ,16H,1H2,(H,17,22)(H2,11, 12,13)/t4-,6-,7-,10-,21+/ m1/s1; OMSUUENXGWGOLC-LHKKBNDGSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P]( O)(=S)O[CH]34; S=P1(OC2C(OC(C2O1)CO)n3c4 ncnc(N)c4nc3)O; c1nc(c2c(n1)n(cn2)[C@H]3 [C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O) N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H ]4O[P@](O)(=S)O[C@@H]34; c1nc(c2c(n1)n(c n2)C3C4C(C(O3)CO)OP(=S)(O4)O)N |
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol; ADENOSINE-2',3'-CYCLOPHOSPHOROTHIOATE |
| 38757 | QQY | 1 | C10 H12 N5 O5 P S | InChI=1S/C10H12N5O5PS/c11 -8-5-9(13-2-12-8)15(3-14- 5)10-7-6(4(1-16)18-10)19- 21(17,22)20-7/h2-4,6-7,10 ,16H,1H2,(H,17,22)(H2,11, 12,13)/t4-,6-,7-,10-,21-/ m1/s1; OMSUUENXGWGOLC-PUHOFUEYSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H]4O [P@](S)(=O)O[C@@H]34; Nc1ncnc2n(cnc12)[C H]3O[CH](CO)[CH]4O[P](S)(=O)O[CH]34; O=P 1(S)OC2C(OC(C2O1)CO)n3c4ncnc(N)c4nc3; c1 nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)OP(=O)(O4) S)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H ]([C@H](O3)CO)O[P@](=O)(O4)S)N |
[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanylidene-2-sulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol |
| 38758 | QQZ | 4 | C7 H10 B N6 O7 P S | InChI=1S/C7H10BN6O7PS/c15 -8(21-22(16,17)18)4-10-23 (19,20)5-1-2-6(9-3-5)7-11 -13-14-12-7/h1-3,10,15H,4 H2,(H2,16,17,18)(H,11,12, 13,14); NHSMXLLDAOLTTP-UHFFFAOYSA-N |
OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P ](O)(O)=O; B(CNS(=O)(=O)c1ccc(nc1)c2[nH] nnn2)(O)OP(=O)(O)O |
phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid |
| 38759 | QR0 | 1 | C20 H18 N4 O4 | InChI=1S/C20H18N4O4/c25-1 7-3-1-2-14-15(17)10-16(20 (27)28)18(14)22-19(26)12- 4-6-13(7-5-12)23-24-9-8-2 1-11-24/h1-9,11,16,18,23, 25H,10H2,(H,22,26)(H,27,2 8)/t16-,18+/m0/s1; YYYJOMDAFKUPDC-FUHWJXTLSA-N |
OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc( Nn4ccnc4)cc3; OC(=O)[C@H]1Cc2c(O)cccc2[C @H]1NC(=O)c3ccc(Nn4ccnc4)cc3; c1cc2c(c(c 1)O)C[C@@H]([C@@H]2NC(=O)c3ccc(cc3)Nn4cc nc4)C(=O)O; O=C(O)C1Cc2c(cccc2O)C1NC(=O) c1ccc(Nn2ccnc2)cc1; c1cc2c(c(c1)O)CC(C2N C(=O)c3ccc(cc3)Nn4ccnc4)C(=O)O |
(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38760 | QR1 | 6 | C11 H24 B N2 O5 | InChI=1S/C11H22BN2O5/c13- 11(10(15)16)4-7-5-14-6-8( 7)9(11)2-1-3-12(17,18)19/ h7-9,14,17-19H,1-6,13H2,( H,15,16)/q-1/p+2/t7-,8+,9 -,11-/m0/s1; WOVPMRKEMBIWOY-DKIAZLNASA-P |
O=C(O)C2(CC1C[NH2+]CC1C2CCC[B-](O)(O)O)[ NH3+]; [B-](CCCC1C2C[NH2+]CC2CC1(C(=O)O) [NH3+])(O)(O)O; [B-](CCC[C@H]1[C@@H]2C[N H2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O ; [NH3+][C]1(C[CH]2C[NH2+]C[CH]2[CH]1CCC [B-](O)(O)O)C(O)=O; [NH3+][C@]1(C[C@H]2C [NH2+]C[C@H]2[C@@H]1CCC[B-](O)(O)O)C(O)= O |
{3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-) |
| 38761 | QR2 CHEMBL4788846 |
1 | C9 H4 Cl F3 N2 O2 | InChI=1S/C9H4ClF3N2O2/c10 -6-2-1-4(3-5(6)9(11,12)13 )7-14-15-8(16)17-7/h1-3H, (H,15,16); SBBOPUCCCOEMDA-UHFFFAOYSA-N |
c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl; FC(F )(F)c1cc(ccc1Cl)C2=NNC(=O)O2 |
5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one |
| 38762 | QR3 | 10 | C21 H24 N6 O3 | InChI=1S/C21H24N6O3/c1-14 -5-6-18(24-23-14)20-17(15 (2)30-25-20)11-27-19(28)9 -16(10-22-27)26-12-21(13- 26)7-3-4-8-29-21/h5-6,9-1 0H,3-4,7-8,11-13H2,1-2H3; QYKLVMLNXMQKCM-UHFFFAOYSA-N |
Cc1onc(c1CN2N=CC(=CC2=O)N3CC4(CCCCO4)C3) c5ccc(C)nn5; Cc1ccc(nn1)c2c(c(on2)C)CN3C (=O)C=C(C=N3)N4CC5(C4)CCCCO5 |
2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one |
| 38763 | QR4 | 6 | C11 H24 B N2 O5 | InChI=1S/C11H22BN2O5/c13- 11(10(15)16)7(2-1-4-12(17 ,18)19)6-9-8(11)3-5-14-9/ h7-9,14,17-19H,1-6,13H2,( H,15,16)/q-1/p+2/t7-,8+,9 +,11+/m0/s1; ZNCURAYGFUECIT-YSSBGUOXSA-P |
[NH3+][C@@]1([C@@H](CCC[B-](O)(O)O)C[C@H ]2[NH2+]CC[C@@H]12)C(O)=O; [B-](CCCC1CC2 C(C1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O; [B -](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[ NH3+])CC[NH2+]2)(O)(O)O; [NH3+][C]1([CH] (CCC[B-](O)(O)O)C[CH]2[NH2+]CC[CH]12)C(O )=O; O=C(C1(C2C(CC1CCC[B-](O)(O)O)[NH2+] CC2)[NH3+])O |
{3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) |
| 38764 | QR5 | 1 | C26 H25 Cl2 N5 O3 | InChI=1S/C26H25Cl2N5O3/c1 -26(17-6-9-20(27)21(28)12 -17,24(35)30-22-14-29-13- 16-4-2-3-5-19(16)22)31-23 (34)15-32-10-11-33(25(32) 36)18-7-8-18/h2-6,9,12-14 ,18H,7-8,10-11,15H2,1H3,( H,30,35)(H,31,34)/t26-/m1 /s1; CDPYVHPXDFRJSH-AREMUKBSSA-N |
C[C@](NC(=O)CN1CCN(C2CC2)C1=O)(C(=O)Nc3c ncc4ccccc34)c5ccc(Cl)c(Cl)c5; Clc1ccc(cc 1Cl)C(C)(NC(=O)CN1CCN(C2CC2)C1=O)C(=O)Nc 1cncc2ccccc21; C[C@@](c1ccc(c(c1)Cl)Cl)( C(=O)Nc2cncc3c2cccc3)NC(=O)CN4CCN(C4=O)C 5CC5; C[C](NC(=O)CN1CCN(C2CC2)C1=O)(C(=O )Nc3cncc4ccccc34)c5ccc(Cl)c(Cl)c5; CC(c1 ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC( =O)CN4CCN(C4=O)C5CC5 |
(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide |
| 38765 | QR6 | 1 | C21 H20 Cl N3 O5 | InChI=1S/C21H20ClN3O5/c22 -16-8-11(24-21(30)23-10-4 -5-10)6-7-13(16)19(27)25- 18-12-2-1-3-17(26)14(12)9 -15(18)20(28)29/h1-3,6-8, 10,15,18,26H,4-5,9H2,(H,2 5,27)(H,28,29)(H2,23,24,3 0)/t15-,18+/m0/s1; DCWUYIIPJAIWML-MAUKXSAKSA-N |
c1cc2c(c(c1)O)C[C@@H]([C@@H]2NC(=O)c3ccc (cc3Cl)NC(=O)NC4CC4)C(=O)O; OC(=O)[CH]1C c2c(O)cccc2[CH]1NC(=O)c3ccc(NC(=O)NC4CC4 )cc3Cl; OC(=O)[C@H]1Cc2c(O)cccc2[C@H]1NC (=O)c3ccc(NC(=O)NC4CC4)cc3Cl; c1cc2c(c(c 1)O)CC(C2NC(=O)c3ccc(cc3Cl)NC(=O)NC4CC4) C(=O)O; O=C(NC1CC1)Nc1ccc(c(Cl)c1)C(=O)N C1c2cccc(O)c2CC1C(=O)O |
(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38766 | QR7 | 1 | C24 H28 N8 O2 | InChI=1S/C24H28N8O2/c1-16 -17-13-30(2)9-11-34-10-8- 25-23(33)20-15-31(3)21-5- 4-18(12-19(20)21)27-24-26 -7-6-22(28-24)32(14-17)29 -16/h4-7,12,14-15H,8-11,1 3H2,1-3H3,(H,25,33)(H,26, 27,28); RKIOUVNEIPKSRD-UHFFFAOYSA-N |
CN1CCOCCNC(=O)c2cn(C)c3ccc(Nc4nccc(n4)n5 cc(C1)c(C)n5)cc23; Cc1c2cn(n1)-c3ccnc(n3 )Nc4ccc5c(c4)c(cn5C)C(=O)NCCOCCN(C2)C |
10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one |
| 38767 | QR8 | 15 | C20 H36 O6 | InChI=1S/C20H36O6/c1-9-8- 10(2)17(22)13(5)19(24)14( 6)20(25)26-15(7)11(3)18(2 3)12(4)16(9)21/h9-15,17-1 9,22-24H,8H2,1-7H3/t9-,10 -,11-,12-,13+,14+,15+,17- ,18-,19-/m0/s1; OLPAVFVRSHWADO-ODNSKKOKSA-N |
C[CH]1C[CH](C)C(=O)[CH](C)[CH](O)[CH](C) [CH](C)OC(=O)[CH](C)[CH](O)[CH](C)[CH]1O ; CC1CC(C(=O)C(C(C(C(OC(=O)C(C(C(C1O)C)O )C)C)C)O)C)C; C[C@H]1C[C@H](C)C(=O)[C@H] (C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H ](C)[C@@H](O)[C@H](C)[C@H]1O; C[C@H]1C[C @@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O )[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O )C)C |
(3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione |
| 38768 | QR9 | 1 | C28 H27 Cl N4 O4 | InChI=1S/C28H27ClN4O4/c1- 17(34)32-15-21-11-20(32)1 6-33(21)26(35)12-28(8-9-3 7-25-7-6-19(29)10-23(25)2 8)27(36)31-24-14-30-13-18 -4-2-3-5-22(18)24/h2-7,10 ,13-14,20-21H,8-9,11-12,1 5-16H2,1H3,(H,31,36)/t20- ,21-,28+/m1/s1; XZDUBNODKZYWIO-CJYOKPGZSA-N |
CC(=O)N1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc 21)C(=O)Nc1cncc2ccccc21; CC(=O)N1CC2CC1C N2C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc 6c5cccc6; CC(=O)N1C[C@H]2C[C@@H]1CN2C(=O )C[C@]3(CCOc4ccc(Cl)cc34)C(=O)Nc5cncc6cc ccc56; CC(=O)N1C[C@H]2C[C@@H]1CN2C(=O)C[ C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5ccc c6; CC(=O)N1C[CH]2C[CH]1CN2C(=O)C[C]3(CC Oc4ccc(Cl)cc34)C(=O)Nc5cncc6ccccc56 |
(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38769 | QRA | 6 | C12 H24 B N2 O5 | InChI=1S/C12H24BN2O5/c14- 12(10(16)17)8-11(4-2-6-15 -11)7-9(12)3-1-5-13(18,19 )20/h9,15,18-20H,1-8,14H2 ,(H,16,17)/q-1/t9-,11-,12 -/m0/s1; VWVXVOZFOIRCBA-DLOVCJGASA-N |
[B-](CCCC1CC2(CCCN2)CC1(C(=O)O)N)(O)(O)O ; N[C]1(C[C]2(CCCN2)C[CH]1CCC[B-](O)(O)O )C(O)=O; N1CCCC12CC(C(C(O)=O)(C2)N)CCC[B -](O)(O)O; [B-](CCC[C@H]1C[C@@]2(CCCN2)C [C@]1(C(=O)O)N)(O)(O)O; N[C@]1(C[C@]2(CC CN2)C[C@@H]1CCC[B-](O)(O)O)C(O)=O |
3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide |
| 38770 | QRB CHEMBL4846435 |
1 | C18 H19 N3 O3 | InChI=1S/C18H19N3O3/c19-1 7(22)15-7-8-16-14(10-15)2 -1-9-21(16)11-12-3-5-13(6 -4-12)18(23)20-24/h3-8,10 ,24H,1-2,9,11H2,(H2,19,22 )(H,20,23); ZRFMDXMQBRKKOA-UHFFFAOYSA-N |
NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO ; c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O) NO |
1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide |
| 38771 | QRC | 2 | C19 H19 N3 O5 | InChI=1S/C19H19N3O5/c1-20 -19(27)21-11-7-5-10(6-8-1 1)17(24)22-16-12-3-2-4-15 (23)13(12)9-14(16)18(25)2 6/h2-8,14,16,23H,9H2,1H3, (H,22,24)(H,25,26)(H2,20, 21,27)/t14-,16+/m0/s1; AIAOTJWQHRPTHB-GOEBONIOSA-N |
CNC(=O)Nc1ccc(cc1)C(=O)N[C@@H]2c3cccc(c3 C[C@@H]2C(=O)O)O; CNC(=O)Nc1ccc(cc1)C(=O )N[CH]2[CH](Cc3c(O)cccc23)C(O)=O; CNC(=O )Nc1ccc(cc1)C(=O)NC2c3cccc(c3CC2C(=O)O)O ; CNC(=O)Nc1ccc(cc1)C(=O)N[C@H]2[C@H](Cc 3c(O)cccc23)C(O)=O; CNC(=O)Nc1ccc(cc1)C( =O)NC1c2cccc(O)c2CC1C(=O)O |
(1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38772 | QRD CHEMBL5417915 |
1 | C19 H19 Cl F3 N5 O | InChI=1S/C19H19ClF3N5O/c1 -25-18-26-10-11-8-14(13-9 -12(19(21,22)23)4-5-15(13 )20)17(29)28(16(11)27-18) 7-3-2-6-24/h4-5,8-10H,2-3 ,6-7,24H2,1H3,(H,25,26,27 ); HWGFCLUXIWWFKE-UHFFFAOYSA-N |
CNc1ncc2c(n1)N(C(=O)C(=C2)c3cc(ccc3Cl)C( F)(F)F)CCCCN; CNc1ncc2C=C(C(=O)N(CCCCN)c 2n1)c3cc(ccc3Cl)C(F)(F)F |
8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
| 38773 | QRE | 2 | C27 H26 N2 O7 S | InChI=1S/C27H26N2O7S/c30- 16-6-9-19-22(13-16)36-23- 14-17(31)7-10-20(23)25(19 )18-8-5-15(12-21(18)26(34 )35)29-27(37)28-11-3-1-2- 4-24(32)33/h5-10,12-14,25 ,30-31H,1-4,11H2,(H,32,33 )(H,34,35)(H2,28,29,37); RDYFZBSVNLLBMW-UHFFFAOYSA-N |
OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3 Oc4cc(O)ccc24)c(c1)C(O)=O; c1cc(c(cc1NC( =S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2c cc(c4)O)O; OC(=O)CCCCCNC(=S)Nc1ccc([C@H] 2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O |
2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid |
| 38774 | QRF | 2 | C26 H23 Cl N4 O3 | InChI=1S/C26H23ClN4O3/c27 -20-12-18(14-25(32)29-23- 17-28-16-19-4-1-2-5-22(19 )23)13-21(15-20)30-7-9-31 (10-8-30)26(33)24-6-3-11- 34-24/h1-6,11-13,15-17H,7 -10,14H2,(H,29,32); KIVBNAMDYXZGMT-UHFFFAOYSA-N |
Clc1cc(CC(=O)Nc2cncc3ccccc23)cc(c1)N4CCN (CC4)C(=O)c5occc5; c1ccc2c(c1)cncc2NC(=O )Cc3cc(cc(c3)Cl)N4CCN(CC4)C(=O)c5ccco5; O=C(N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32 )cc(Cl)c1)c1ccco1 |
2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide |
| 38775 | QRG CHEMBL1927823 ZINC000073199480 |
1 | C11 H18 N2 O6 S | InChI=1S/C11H18N2O6S/c1-6 (14)12-8(5-9(15)16)10(17) 13-7(11(18)19)3-4-20-2/h7 -8H,3-5H2,1-2H3,(H,12,14) (H,13,17)(H,15,16)(H,18,1 9)/t7-,8-/m0/s1; FGMUBJQYXOPMHD-YUMQZZPRSA-N |
CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C( O)=O; CSCC[CH](NC(=O)[CH](CC(O)=O)NC(C)= O)C(O)=O; O=C(NC(C(=O)O)CCSC)C(NC(=O)C)C C(=O)O; CC(=O)NC(CC(=O)O)C(=O)NC(CCSC)C( =O)O; CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H] (CCSC)C(=O)O |
N-acetyl-L-alpha-aspartyl-L-methionine |
| 38776 | QRH | 2 | C36 H38 N O3 P | InChI=1S/C36H38NO3P/c38-3 6(23-13-12-16-30-24-25-34 -35(28-30)40-29-39-34)37- 26-14-1-2-15-27-41(31-17- 6-3-7-18-31,32-19-8-4-9-2 0-32)33-21-10-5-11-22-33/ h3-13,16-25,28,41H,1-2,14 -15,26-27,29H2,(H,37,38)/ b16-12+,23-13+; XYBUESNIYRZZQB-XSDFDVSCSA-N |
c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c (c2)OCO3)(c4ccccc4)c5ccccc5; c1ccc(cc1)P (CCCCCCNC(=O)C=CC=Cc2ccc3c(c2)OCO3)(c4cc ccc4)c5ccccc5; O=C(NCCCCCC[PH](c1ccccc1) (c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4; O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccc cc3)/C=C/C=C/c4ccc5OCOc5c4 |
(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide |
| 38777 | QRI | 1 | C19 H19 N3 O5 | InChI=1S/C19H19N3O5/c1-20 -19(27)21-11-7-5-10(6-8-1 1)17(24)22-16-12-3-2-4-15 (23)13(12)9-14(16)18(25)2 6/h2-8,14,16,23H,9H2,1H3, (H,22,24)(H,25,26)(H2,20, 21,27)/t14-,16+/m1/s1; AIAOTJWQHRPTHB-ZBFHGGJFSA-N |
CNC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3c(O )cccc23)C(O)=O; CNC(=O)Nc1ccc(cc1)C(=O)N C2c3cccc(c3CC2C(=O)O)O; CNC(=O)Nc1ccc(cc 1)C(=O)N[C@H]2c3cccc(c3C[C@H]2C(=O)O)O; CNC(=O)Nc1ccc(cc1)C(=O)N[C@@H]2[C@@H](Cc 3c(O)cccc23)C(O)=O; CNC(=O)Nc1ccc(cc1)C( =O)NC1c2cccc(O)c2CC1C(=O)O |
(1R,2R)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38778 | QRJ | 6 | C12 H26 B N2 O5 | InChI=1S/C12H24BN2O5/c14- 12(10(16)17)7-11(3-5-15-8 -11)6-9(12)2-1-4-13(18,19 )20/h9,15,18-20H,1-8,14H2 ,(H,16,17)/q-1/p+2/t9-,11 -,12-/m0/s1; IOCRPFIKFQALKS-DLOVCJGASA-P |
OC(C2(CC1(C[NH2+]CC1)CC2CCC[B-](O)(O)O)[ NH3+])=O; [NH3+][C]1(C[C]2(CC[NH2+]C2)C[ CH]1CCC[B-](O)(O)O)C(O)=O; [NH3+][C@]1(C [C@]2(CC[NH2+]C2)C[C@@H]1CCC[B-](O)(O)O) C(O)=O; [B-](CCCC1CC2(CC[NH2+]C2)CC1(C(= O)O)[NH3+])(O)(O)O; [B-](CCC[C@H]1C[C@@] 2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O) O |
{3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-) |
| 38779 | QRL ZINC000001841229 |
1 | C7 H14 O S | InChI=1S/C7H14OS/c1-3-4-5 -6-7(8)9-2/h3-6H2,1-2H3; AKGAHYLJHAOPKQ-UHFFFAOYSA-N |
CCCCCC(=O)SC | S-methyl hexanethioate |
| 38780 | QRM | 3 | C7 H9 N O2 | InChI=1S/C7H9NO2/c8-6-3-1 -2-5(4-6)7(9)10/h3-4H,1-2 ,8H2,(H,9,10); CMKSBGMWHUXBKM-UHFFFAOYSA-N |
C1CC(=CC(=C1)N)C(=O)O; C(=O)(O)C=1CCC=C( C=1)N; NC1=CCCC(=C1)C(O)=O |
3-aminocyclohexa-1,3-diene-1-carboxylic acid |
| 38781 | QRN | 2 | C16 H15 N O2 S | InChI=1S/C16H15NO2S/c1-19 -14-8-6-11(10-13(14)18)7- 9-16-17-12-4-2-3-5-15(12) 20-16/h2-6,8,10,18H,7,9H2 ,1H3; QNHPMOUOOZOFMX-UHFFFAOYSA-N |
COc1ccc(CCc2sc3ccccc3n2)cc1O; COc1ccc(cc 1O)CCc2nc3ccccc3s2 |
5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol |
| 38782 | QRO CHEMBL3991402 ZINC000095920675 |
2 | C13 H10 F2 N2 O4 | InChI=1S/C13H10F2N2O4/c14 -8-4-2-6(5-9(8)15)1-3-7-1 0(12(19)20)16-13(21)17-11 (7)18/h2,4-5H,1,3H2,(H,19 ,20)(H2,16,17,18,21); KTXYBNZQKHWXBC-UHFFFAOYSA-N |
OC(=O)C1=C(CCc2ccc(F)c(F)c2)C(=O)NC(=O)N 1; c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F )F; O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(F)c (F)c2 |
5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| 38783 | QRP CHEMBL563557 ZINC000001582158 |
43 | C16 H17 N3 O2 | InChI=1S/C16H17N3O2/c20-1 5-14-6-3-7-19(14)16(21)13 (18-15)8-10-9-17-12-5-2-1 -4-11(10)12/h1-2,4-5,9,13 -14,17H,3,6-8H2,(H,18,20) /t13-,14-/m0/s1; RYFZBPVMVYTEKZ-KBPBESRZSA-N |
c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@ H]4C(=O)N3; O=C1N4C(C(=O)NC1Cc3c2ccccc2n c3)CCC4; c1ccc2c(c1)c(c[nH]2)CC3C(=O)N4C CCC4C(=O)N3; O=C1N[C@@H](Cc2c[nH]c3ccccc 23)C(=O)N4CCC[C@@H]14; O=C1N[CH](Cc2c[nH ]c3ccccc23)C(=O)N4CCC[CH]14 |
(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione; Brevianamide F; cyclo-L-Trp-L-Pro |
| 38784 | QRQ | 1 | C18 H19 N O3 S | InChI=1S/C18H19NO3S/c1-20 -14-10-12(11-15(21-2)18(1 4)22-3)8-9-17-19-13-6-4-5 -7-16(13)23-17/h4-7,10-11 H,8-9H2,1-3H3; FTRLQDNXNMGZPN-UHFFFAOYSA-N |
COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2; COc1c c(CCc2sc3ccccc3n2)cc(OC)c1OC |
2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
| 38785 | QRR CHEMBL5401391 |
1 | C18 H20 Cl N5 O | InChI=1S/C18H20ClN5O/c1-2 1-18-22-11-12-10-14(13-6- 2-3-7-15(13)19)17(25)24(1 6(12)23-18)9-5-4-8-20/h2- 3,6-7,10-11H,4-5,8-9,20H2 ,1H3,(H,21,22,23); DVQJNPZTPKFTFL-UHFFFAOYSA-N |
CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccccc3Cl)CCC CN; CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cccc c3Cl |
8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
| 38786 | QRS | 1 | C24 H24 Cl2 N4 O2 | InChI=1S/C24H24Cl2N4O2/c1 -24(17-7-8-19(25)20(26)11 -17,29-22(31)16-9-10-30(2 )14-16)23(32)28-21-13-27- 12-15-5-3-4-6-18(15)21/h3 -8,11-13,16H,9-10,14H2,1- 2H3,(H,28,32)(H,29,31)/t1 6-,24+/m0/s1; CDOWQSLSBXGJJG-UPCLLVRISA-N |
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2 cccc3)NC(=O)[C@H]4CCN(C4)C; O=C(NC(C)(c1 ccc(Cl)c(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CC N(C)C1; CN1CC[CH](C1)C(=O)N[C](C)(C(=O)N c2cncc3ccccc23)c4ccc(Cl)c(Cl)c4; CN1CC[C @@H](C1)C(=O)N[C@@](C)(C(=O)Nc2cncc3cccc c23)c4ccc(Cl)c(Cl)c4; CC(c1ccc(c(c1)Cl)C l)(C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCN(C4)C |
(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide |
| 38787 | QRT | 1 | C10 H14 N3 O10 P | InChI=1S/C10H14N3O10P/c11 -8(17)3-1-5(14)12-10(18)1 3(3)9-7(16)6(15)4(23-9)2- 22-24(19,20)21/h1,4,6-7,9 ,15-16H,2H2,(H2,11,17)(H, 12,14,18)(H2,19,20,21)/t4 -,6-,7-,9-/m1/s1; NQGAULDDRYFBMS-FJGDRVTGSA-N |
C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C @H](O2)COP(=O)(O)O)O)O)C(=O)N; C1=C(N(C( =O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O )N; NC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO [P](O)(O)=O)[CH](O)[CH]2O; NC(=O)C1=CC(= O)NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C @@H](O)[C@H]2O |
[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 38788 | QRU | 2 | C21 H21 N3 O5 | InChI=1S/C21H21N3O5/c25-1 7-3-1-2-14-15(17)10-16(20 (27)28)18(14)24-19(26)11- 4-6-12(7-5-11)22-21(29)23 -13-8-9-13/h1-7,13,16,18, 25H,8-10H2,(H,24,26)(H,27 ,28)(H2,22,23,29)/t16-,18 +/m1/s1; HULQKGAWTDMSSA-AEFFLSMTSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=O )NC4CC4)C(=O)O; OC(=O)[CH]1Cc2c(O)cccc2[ CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3; OC(=O) [C@@H]1Cc2c(O)cccc2[C@@H]1NC(=O)c3ccc(NC (=O)NC4CC4)cc3; O=C(NC1CC1)Nc1ccc(cc1)C( =O)NC1c2cccc(O)c2CC1C(=O)O; c1cc2c(c(c1) O)C[C@H]([C@H]2NC(=O)c3ccc(cc3)NC(=O)NC4 CC4)C(=O)O |
(1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38789 | QRV | 0 | C20 H27 F N6 O8 P | InChI=1S/C20H26FN6O8P/c21 -14-16(29)13(10-34-36(31, 32)33)35-19(14)27-11-26(1 5-17(27)23-20(22)24-18(15 )30)7-6-25(8-9-28)12-4-2- 1-3-5-12/h1-5,11,13-14,16 ,19,28-29H,6-10H2,(H4-,22 ,23,24,30,31,32,33)/p+1/t 13-,14+,16-,19-/m1/s1; CYGUEJJPPJBMNJ-QHHYFVSCSA-O |
c1ccc(cc1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N) C4C(C(C(O4)COP(=O)(O)O)O)F)CCO; c1ccc(cc 1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C @H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F)CCO; c3n(C1C(C(C(COP(O)(O)=O)O1)O)F)c2c(C(NC (N)=N2)=O)[n+]3CCN(c4ccccc4)CCO; NC1=Nc2 n(c[n+](CCN(CCO)c3ccccc3)c2C(=O)N1)[C@@H ]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]4F ; NC1=Nc2n(c[n+](CCN(CCO)c3ccccc3)c2C(=O )N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH] 4F |
2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium |
| 38790 | QRW CHEMBL1738877 ZINC000038226912 |
2 | C24 H21 F3 N6 O | InChI=1S/C24H21F3N6O/c1-3 3-21(31-32-22(33)16-9-11- 28-12-10-16)15-29-19-7-4- 6-17(13-19)23(34)30-14-18 -5-2-3-8-20(18)24(25,26)2 7/h2-13,29H,14-15H2,1H3,( H,30,34); WFOVEDJTASPCIR-UHFFFAOYSA-N |
FC(F)(F)c1ccccc1CNC(=O)c4cc(NCc3nnc(c2cc ncc2)n3C)ccc4; Cn1c(nnc1c2ccncc2)CNc3ccc c(c3)C(=O)NCc4ccccc4C(F)(F)F; Cn1c(CNc2c ccc(c2)C(=O)NCc3ccccc3C(F)(F)F)nnc1c4ccn cc4 |
3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide |
| 38791 | QRX CHEMBL1738878 ZINC000013984048 |
1 | C24 H23 F2 N7 O | InChI=1S/C24H23F2N7O/c1-2 -11-33-22(31-32-23(33)21- 9-10-27-15-30-21)14-28-17 -6-3-5-16(12-17)24(34)29- 13-18-19(25)7-4-8-20(18)2 6/h3-10,12,15,28H,2,11,13 -14H2,1H3,(H,29,34); VWBSMGFTNCQOMB-UHFFFAOYSA-N |
Fc1cccc(F)c1CNC(=O)c2cc(ccc2)NCc4nnc(c3n cncc3)n4CCC; CCCn1c(nnc1c2ccncn2)CNc3ccc c(c3)C(=O)NCc4c(cccc4F)F; CCCn1c(CNc2ccc c(c2)C(=O)NCc3c(F)cccc3F)nnc1c4ccncn4 |
N-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide |
| 38792 | QRY ZINC000022089605 |
1 | C24 H23 N3 O3 S | InChI=1S/C24H23N3O3S/c25- 31(29,30)19-12-10-17(11-1 3-19)14-15-26-23(18-6-2-1 -3-7-18)24(28)21-16-27-22 -9-5-4-8-20(21)22/h1-13,1 6,23,26-27H,14-15H2,(H2,2 5,29,30)/t23-/m1/s1; GLJNFDHGTNKTJR-HSZRJFAPSA-N |
c1ccc(cc1)C(C(=O)c2c[nH]c3c2cccc3)NCCc4c cc(cc4)S(=O)(=O)N; N[S](=O)(=O)c1ccc(CCN [CH](C(=O)c2c[nH]c3ccccc23)c4ccccc4)cc1; c1(ccc(S(N)(=O)=O)cc1)CCNC(c2ccccc2)C(c 4cnc3ccccc34)=O; c1ccc(cc1)[C@H](C(=O)c2 c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N; N[S](=O)(=O)c1ccc(CCN[C@@H](C(=O)c2c[nH] c3ccccc23)c4ccccc4)cc1 |
4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide |
| 38793 | QRZ | 1 | C10 H14 N3 O9 P S | InChI=1S/C10H14N3O9PS/c11 -8(24)3-1-5(14)12-10(17)1 3(3)9-7(16)6(15)4(22-9)2- 21-23(18,19)20/h1,4,6-7,9 ,15-16H,2H2,(H2,11,24)(H, 12,14,17)(H2,18,19,20)/t4 -,6-,7-,9-/m1/s1; FOTDNYQDMJFRSX-FJGDRVTGSA-N |
C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O )O)O)C(=S)N; NC(=S)C1=CC(=O)NC(=O)N1[CH] 2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O; NC(= S)C1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[P](O )(O)=O)[C@@H](O)[C@H]2O; C1=C(N(C(=O)NC1 =O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)( O)O)O)O)C(=S)N |
[(2~{R},3~{S},4~{R},5~{R})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 38794 | QS0 CHEMBL3421968 ZINC000096170450 |
5 | C24 H27 N7 O | InChI=1S/C24H27N7O/c1-29- 10-12-31(13-11-29)17-4-5- 21(23(14-17)32-3)28-24-26 -9-7-20(27-24)19-16-30(2) 22-15-25-8-6-18(19)22/h4- 9,14-16H,10-13H2,1-3H3,(H ,26,27,28); ZYVXTMKTGDARKR-UHFFFAOYSA-N |
Cn1cc(c2c1cncc2)c3ccnc(n3)Nc4ccc(cc4OC)N 5CCN(CC5)C; COc1cc(ccc1Nc2nccc(n2)c3cn(C )c4cnccc34)N5CCN(C)CC5 |
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine; N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine |
| 38795 | QS1 CHEMBL4641354 |
1 | C27 H26 N6 O | InChI=1S/C27H26N6O/c1-19( 21-10-8-20(14-28)9-11-21) 15-30-26(22-6-4-3-5-7-22) 27(34)32-25-13-12-23(16-2 9-25)24-17-31-33(2)18-24/ h3-13,16-19,26,30H,15H2,1 -2H3,(H,29,32,34)/t19-,26 -/m1/s1; SEDFZSHSBUXKAC-NIYFSFCBSA-N |
CC(CNC(c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3 )C)c4ccc(cc4)C#N; c1cc(C#N)ccc1C(CNC(c2c cccc2)C(Nc3ccc(cn3)c4cn(nc4)C)=O)C; C[CH ](CN[CH](C(=O)Nc1ccc(cn1)c2cnn(C)c2)c3cc ccc3)c4ccc(cc4)C#N; C[C@H](CN[C@@H](C(=O )Nc1ccc(cn1)c2cnn(C)c2)c3ccccc3)c4ccc(cc 4)C#N; C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2c cc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N |
(2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide |
| 38796 | QS2 | 14 | C41 H54 O2 | InChI=1S/C41H54O2/c1-31(1 9-14-21-33(3)23-16-24-36( 6)40(42)29-30-41(9,10)43- 11)17-12-13-18-32(2)20-15 -22-34(4)25-27-39-28-26-3 5(5)37(7)38(39)8/h12-28H, 29-30H2,1-11H3/b13-12+,19 -14+,20-15+,23-16+,27-25+ ,31-17+,32-18+,33-21+,34- 22-,36-24+; FSQZIFSGNDUYRQ-KKGQYTAFSA-N |
COC(C)(C)CCC(=O)C(/C)=C/C=C/C(C)=C/C=C/C (C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\c1ccc(C) c(C)c1C; Cc1ccc(c(c1C)C)C=CC(=CC=CC(=CC= CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(C)O C)C)C; Cc1ccc(c(c1C)C)/C=C/C(=C\C=C\C(=C \C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(= O)CCC(C)(C)OC)\C)/C; COC(C)(C)CCC(=O)C(C )=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C =Cc1ccc(C)c(C)c1C |
9-cis-okenone |
| 38797 | QS3 | 1 | C21 H16 Cl N3 O3 | InChI=1S/C21H16ClN3O3/c1- 24-20(27)25(17-12-23-11-1 3-4-2-3-5-15(13)17)19(26) 21(24)8-9-28-18-7-6-14(22 )10-16(18)21/h2-7,10-12H, 8-9H2,1H3/t21-/m0/s1; JBTXEVNTEFVYSG-NRFANRHFSA-N |
CN1C(=O)N(C(=O)[C@@]12CCOc3ccc(Cl)cc23)c 4cncc5ccccc45; CN1C(=O)N(C(=O)[C@@]12CCO c3c2cc(cc3)Cl)c4cncc5c4cccc5; CN1C(=O)N( C(=O)[C]12CCOc3ccc(Cl)cc23)c4cncc5ccccc4 5; Clc1ccc2OCCC3(C(=O)N(C(=O)N3C)c3cncc4 ccccc43)c2c1; CN1C(=O)N(C(=O)C12CCOc3c2c c(cc3)Cl)c4cncc5c4cccc5 |
(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione |
| 38798 | QS4 ZINC000000507896 |
1 | C17 H22 N2 O | InChI=1S/C17H22N2O/c1-12- 7-5-6-10-19(12)11-16(20)1 7-13(2)18-15-9-4-3-8-14(1 5)17/h3-4,8-9,12,18H,5-7, 10-11H2,1-2H3/t12-/m1/s1; VMIOFZFIOOEUFH-GFCCVEGCSA-N |
Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCC[C@H]3C; C1CC(N(CC1)CC(c2c(C)nc3ccccc23)=O)C; C[C @@H]1CCCCN1CC(=O)c2c(C)[nH]c3ccccc23; Cc 1c(c2ccccc2[nH]1)C(=O)CN3CCCCC3C; C[CH]1 CCCCN1CC(=O)c2c(C)[nH]c3ccccc23 |
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one |
| 38799 | QS5 CHEMBL3752054 ZINC000144218975 |
1 | C26 H28 N2 O5 | InChI=1S/C26H28N2O5/c1-18 -3-12-23(33-18)25(30)28-2 1-8-4-19(5-9-21)24(29)27- 17-26(13-15-32-16-14-26)2 0-6-10-22(31-2)11-7-20/h3 -12H,13-17H2,1-2H3,(H,27, 29)(H,28,30); UKLWMTAVXDIMIA-UHFFFAOYSA-N |
COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O )c4oc(C)cc4)cc3; Cc1ccc(o1)C(=O)Nc2ccc(c c2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC |
N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide |
| 38800 | QS6 | 1 | C11 H14 N4 O | InChI=1S/C11H14N4O/c16-8- 2-1-7(5-8)15-11-9-3-4-12- 10(9)13-6-14-11/h3-4,6-8, 16H,1-2,5H2,(H2,12,13,14, 15)/t7-,8+/m0/s1; AVBQUGKPWKWVAT-JGVFFNPUSA-N |
OC1CCC(C1)Nc1ncnc2[NH]ccc21; c1c[nH]c2c1 c(ncn2)N[C@H]3CC[C@H](C3)O; O[CH]1CC[CH] (C1)Nc2ncnc3[nH]ccc23; O[C@@H]1CC[C@@H]( C1)Nc2ncnc3[nH]ccc23; c1c[nH]c2c1c(ncn2) NC3CCC(C3)O |
(1R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol |