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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 44001 | UY3 CHEMBL5439202 |
1 | C15 H12 F4 O3 S2 | InChI=1S/C15H12F4O3S2/c1- 24(21,22)14-11-10(2-3-15( 18,19)13(11)20)12(23-14)7 -4-8(16)6-9(17)5-7/h4-6,1 3,20H,2-3H2,1H3/t13-/m0/s 1; SSIWQCYLGHKCQZ-ZDUSSCGKSA-N |
CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F)F)CCC( [C@H]2O)(F)F; C[S](=O)(=O)c1sc(c2CCC(F)( F)[C@@H](O)c12)c3cc(F)cc(F)c3; C[S](=O)( =O)c1sc(c2CCC(F)(F)[CH](O)c12)c3cc(F)cc( F)c3; CS(=O)(=O)c1c2c(c(s1)c3cc(cc(c3)F) F)CCC(C2O)(F)F |
(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol |
| 44002 | UY4 | 0 | C15 H21 N6 O11 P | InChI=1S/C15H21N6O11P/c1- 5(22)7(14(25)26)19-15(27) 20-11-8-12(17-3-16-11)21( 4-18-8)13-10(24)9(23)6(32 -13)2-31-33(28,29)30/h3-7 ,9-10,13,22-24H,2H2,1H3,( H,25,26)(H2,28,29,30)(H2, 16,17,19,20,27)/t5-,6+,7- ,9+,10+,13+/m0/s1; BHFCEFYJTLMMEQ-SDZKHPBCSA-N |
CC(C(C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)C3C( C(C(O3)COP(=O)(O)O)O)O)O; C[CH](O)[CH](N C(=O)Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O) (O)=O)[CH](O)[CH]3O)C(O)=O; C[C@H](O)[C@ H](NC(=O)Nc1ncnc2n(cnc12)[C@@H]3O[C@H](C O[P](O)(O)=O)[C@@H](O)[C@H]3O)C(O)=O; c2 3n(C1OC(C(C1O)O)COP(O)(=O)O)cnc2c(ncn3)N C(NC(C(=O)O)C(C)O)=O; C[C@@H]([C@@H](C(= O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H] ([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O |
(2S,3S)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid |
| 44003 | UY5 CHEMBL5083998 |
1 | C29 H43 N7 O | InChI=1S/C29H43N7O/c1-22( 2)32-25-17-26(31-21-30-25 )35-15-11-29(12-16-35)20- 36(19-27(37)33-29)24-7-5- 23(6-8-24)18-34-13-9-28(3 ,4)10-14-34/h5-8,17,21-22 H,9-16,18-20H2,1-4H3,(H,3 3,37)(H,30,31,32); HJOBOVGEKZTYKP-UHFFFAOYSA-N |
CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c 4ccc(CN5CCC(C)(C)CC5)cc4; CC(C)Nc1cc(ncn 1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CC C(CC5)(C)C |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 44004 | UY6 | 1 | C26 H27 N11 O3 | InChI=1S/C26H27N11O3/c1-3 5(11-16-20(38)21(39)26(40 -16)37-14-33-18-22(27)29- 12-31-24(18)37)9-5-8-17-3 4-19-23(28)30-13-32-25(19 )36(17)10-15-6-3-2-4-7-15 /h2-4,6-7,12-14,16,20-21, 26,38-39H,9-11H2,1H3,(H2, 27,29,31)(H2,28,30,32)/t1 6-,20-,21-,26-/m1/s1; ZVDFDXJRBXGTOT-RRQFZRKBSA-N |
CN(CC#Cc1nc2c(ncnc2n1Cc3ccccc3)N)C[C@@H] 4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O) O; CN(CC#Cc1nc2c(N)ncnc2n1Cc3ccccc3)C[CH ]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56; CN(CC#Cc1nc2c(ncnc2n1Cc3ccccc3)N)CC4C(C( C(O4)n5cnc6c5ncnc6N)O)O; CN(CC#Cc1nc2c(N )ncnc2n1Cc3ccccc3)C[C@H]4O[C@H]([C@H](O) [C@@H]4O)n5cnc6c(N)ncnc56 |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol |
| 44005 | UY7 ZINC000000895457 |
9 | C5 H9 N O3 | InChI=1S/C5H9NO3/c7-3-1-4 (5(8)9)6-2-3/h3-4,6-7H,1- 2H2,(H,8,9)/t3-,4+/m0/s1; PMMYEEVYMWASQN-IUYQGCFVSA-N |
C1C(O)CNC1C(O)=O; C1C(CNC1C(=O)O)O; O[CH ]1CN[CH](C1)C(O)=O; C1[C@@H](CN[C@H]1C(= O)O)O; O[C@@H]1CN[C@H](C1)C(O)=O |
(4S)-4-hydroxy-D-proline |
| 44006 | UY9 CHEMBL5421916 |
1 | C31 H28 F3 N7 O2 | InChI=1S/C31H28F3N7O2/c1- 4-18-11-23-26(5-7-37-27(2 3)24(12-18)29(42)35-2)41- 9-6-20-21(25-16-39(3)38-2 8(25)31(32,33)34)13-19(14 -22(20)30(41)43)15-40-10- 8-36-17-40/h5,7-8,10-14,1 6-17H,4,6,9,15H2,1-3H3,(H ,35,42); SHGMSJNVTCKQHS-UHFFFAOYSA-N |
CCc1cc(C(=O)NC)c2nccc(N3CCc4c(cc(Cn5ccnc 5)cc4c6cn(C)nc6C(F)(F)F)C3=O)c2c1; FC(F) (F)c1nn(C)cc1c1cc(Cn2ccnc2)cc2C(=O)N(CCc 12)c1ccnc2c1cc(CC)cc2C(=O)NC; CCc1cc2c(c cnc2c(c1)C(=O)NC)N3CCc4c(cc(cc4C3=O)Cn5c cnc5)c6cn(nc6C(F)(F)F)C |
6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide |
| 44007 | UYA CHEMBL1229563 ZINC000000895455 |
3 | C5 H9 N O3 | InChI=1S/C5H9NO3/c7-3-1-4 (5(8)9)6-2-3/h3-4,6-7H,1- 2H2,(H,8,9)/t3-,4-/m1/s1; PMMYEEVYMWASQN-QWWZWVQMSA-N |
C1C(CNC1C(=O)O)O; O[CH]1CN[CH](C1)C(O)=O ; N1CC(CC1C(O)=O)O; C1[C@H](CN[C@H]1C(=O )O)O; O[C@H]1CN[C@H](C1)C(O)=O |
(4R)-4-hydroxy-D-proline |
| 44008 | UYC ZINC000064622185 |
1 | C33 H38 N4 O6 | InChI=1S/C33H38N4O6/c1-7- 20-19(6)32(42)37-27(20)14 -25-18(5)23(10-12-31(40)4 1)29(35-25)15-28-22(9-11- 30(38)39)17(4)24(34-28)13 -26-16(3)21(8-2)33(43)36- 26/h7,13-15,19,34H,8-12H2 ,1-6H3,(H,36,43)(H,37,42) (H,38,39)(H,40,41)/b20-7- ,26-13-,27-14-,29-15-/t19 -/m1/s1; XAVVMXGLKJSJDU-NSNBCYBJSA-N |
CCC1=C(C(=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3) C=C4C(=CC)C(C(=O)N4)C)C)CCC(=O)O)CCC(=O) O)C)NC1=O)C; CCC1=C(C)C(NC1=O)=Cc2[nH]c( C=C3N=C(C=C4NC(=O)[CH](C)C4=CC)C(=C3CCC( O)=O)C)c(CCC(O)=O)c2C; CCC1=C(/C(=C/c2c( c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC )[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/ NC1=O)C; CCC1=C(C)C(/NC1=O)=C/c2[nH]c(\C =C3/N=C(\C=C\4NC(=O)[C@H](C)C\4=C/C)C(=C 3CCC(O)=O)C)c(CCC(O)=O)c2C |
3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
| 44009 | UYD ZINC000169702567 |
8 | C21 H26 N8 O | InChI=1S/C21H26N8O/c1-21( 2,3)16-10-17(28-29(16)4)2 4-18-14-11-22-27-19(14)26 -20(25-18)23-15(12-30)13- 8-6-5-7-9-13/h5-11,15,30H ,12H2,1-4H3,(H3,22,23,24, 25,26,27,28)/t15-/m0/s1; MOLGZLFXZJMRCB-HNNXBMFYSA-N |
Cn1nc(Nc2nc(N[CH](CO)c3ccccc3)nc4[nH]ncc 24)cc1C(C)(C)C; CC(C)(C)c1cc(nn1C)Nc2c3c n[nH]c3nc(n2)N[C@@H](CO)c4ccccc4; C(Nc3n c(Nc1nn(C)c(c1)C(C)(C)C)c2c(nnc2)n3)(CO) c4ccccc4; CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c 3nc(n2)NC(CO)c4ccccc4; Cn1nc(Nc2nc(N[C@@ H](CO)c3ccccc3)nc4[nH]ncc24)cc1C(C)(C)C |
(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol |
| 44010 | UYF CHEMBL5422094 |
1 | C14 H18 F2 O4 S2 | InChI=1S/C14H18F2O4S2/c1- 22(18,19)13-10-9(7-14(15, 16)11(10)17)12(21-13)20-8 -5-3-2-4-6-8/h8,11,17H,2- 7H2,1H3/t11-/m0/s1; VVRLYNNVBDMZCH-NSHDSACASA-N |
CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC(C2O)(F )F; CS(=O)(=O)c1c2c(c(s1)OC3CCCCC3)CC([C @H]2O)(F)F; C[S](=O)(=O)c1sc(OC2CCCCC2)c 3CC(F)(F)[CH](O)c13; C[S](=O)(=O)c1sc(OC 2CCCCC2)c3CC(F)(F)[C@@H](O)c13 |
(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol |
| 44011 | UYG ZINC000001698124 |
2 | C16 H19 N3 O2 | InChI=1S/C16H19N3O2/c1-9( 2)14-16(21)18-13(15(20)19 -14)7-10-8-17-12-6-4-3-5- 11(10)12/h3-6,8-9,13-14,1 7H,7H2,1-2H3,(H,18,21)(H, 19,20)/t13-,14-/m0/s1; WNWCQIPRIITCPM-KBPBESRZSA-N |
c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23; CC(C)C1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc 3; CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[n H]c3c2cccc3; CC(C)[CH]1NC(=O)[CH](Cc2c[n H]c3ccccc23)NC1=O; CC(C)[C@@H]1NC(=O)[C@ H](Cc2c[nH]c3ccccc23)NC1=O |
(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione |
| 44012 | UYH ZINC000095612921 |
5 | C45 H86 O10 | InChI=1S/C45H86O10/c1-3-5 -7-9-11-13-15-17-19-21-23 -25-27-29-31-33-40(47)52- 36-38(37-53-45-44(51)43(5 0)42(49)39(35-46)55-45)54 -41(48)34-32-30-28-26-24- 22-20-18-16-14-12-10-8-6- 4-2/h38-39,42-46,49-51H,3 -37H2,1-2H3/t38-,39-,42-, 43+,44-,45-/m1/s1; DCLTVZLYPPIIID-KTXJEQRFSA-N |
CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1 )CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC; CCCCC CCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]( [C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCC CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC [CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1 O)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCC CCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@@ H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCC CCCC |
[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate |
| 44013 | UYI CHEMBL2110579 DB06645 ZINC000043130908 |
1 | C31 H42 N6 O3 | InChI=1S/C31H42N6O3/c1-30 (2,32)28(39)34-26(18-23-2 0-33-25-15-10-9-14-24(23) 25)27(38)37-17-11-16-31(2 1-37,29(40)36(5)35(3)4)19 -22-12-7-6-8-13-22/h6-10, 12-15,20,26,33H,11,16-19, 21,32H2,1-5H3,(H,34,39)/t 26-,31-/m1/s1; VQPFSIRUEPQQPP-MXBOTTGLSA-N |
CN(C)N(C)C(=O)[C@]1(CCCN(C1)C(=O)[C@@H]( Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4cccc c4; CC(C)(C(=O)N[C@H](Cc1c[nH]c2c1cccc2) C(=O)N3CCC[C@](C3)(Cc4ccccc4)C(=O)N(C)N( C)C)N; CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O)[ CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4 ccccc4; CC(C)(C(=O)NC(Cc1c[nH]c2c1cccc2) C(=O)N3CCCC(C3)(Cc4ccccc4)C(=O)N(C)N(C)C )N |
Anamorelin; 2-azanyl-N-[(2R)-1-[(3R)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide; DB06645 |
| 44014 | UYK CHEMBL4878439 ZINC000149938083 |
1 | C25 H30 N4 O4 | InChI=1S/C25H30N4O4/c1-14 (13-30-4)29-24-18-11-22(3 1-5)19(23-15(2)28-33-16(2 3)3)10-20(18)26-12-21(24) 27-25(29)17-6-8-32-9-7-17 /h10-12,14,17H,6-9,13H2,1 -5H3/t14-/m1/s1; HYPXHDJBILNWLI-CQSZACIVSA-N |
COC[C@@H](C)n1c(nc2cnc3cc(c(OC)cc3c12)c4 c(C)onc4C)C5CCOCC5; Cc1c(c(on1)C)c2cc3c( cc2OC)c4c(cn3)nc(n4C(C)COC)C5CCOCC5; COC [CH](C)n1c(nc2cnc3cc(c(OC)cc3c12)c4c(C)o nc4C)C5CCOCC5; Cc1c(c(on1)C)c2cc3c(cc2OC )c4c(cn3)nc(n4[C@H](C)COC)C5CCOCC5 |
(R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole; 4-[8-methoxy-1-[(2~{R})-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole; 4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole |
| 44015 | UYL | 1 | C8 H12 N2 O | InChI=1S/C8H12N2O/c11-7-4 -8(6-10-7)2-1-3-9-5-8/h6, 9H,1-5H2/t8-/m1/s1; JXAZNKVKSBLOCY-MRVPVSSYSA-N |
O=C1C[C]2(CCCNC2)C=N1; O=C1C[C@@]2(CCCNC 2)C=N1; C1C[C@@]2(CC(=O)N=C2)CNC1; C1CC2 (CC(=O)N=C2)CNC1; O=C1N=CC2(C1)CCCNC2 |
(5R)-2,7-diazaspiro[4.5]dec-1-en-3-one |
| 44016 | UYM CHEMBL191011 ZINC000004073922 |
6 | C22 H20 N4 O2 | InChI=1S/C22H20N4O2/c27-2 1-19(9-13-11-23-17-7-3-1- 5-15(13)17)25-22(28)20(26 -21)10-14-12-24-18-8-4-2- 6-16(14)18/h1-8,11-12,19- 20,23-24H,9-10H2,(H,25,28 )(H,26,27)/t19-,20-/m0/s1; DNHODRZUCGXYKU-PMACEKPBSA-N |
c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C (=O)N3)Cc4c[nH]c5c4cccc5; n4cc(CC3C(NC(C c2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5; c1 ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)N3)Cc4 c[nH]c5c4cccc5; O=C1N[C@@H](Cc2c[nH]c3cc ccc23)C(=O)N[C@H]1Cc4c[nH]c5ccccc45; O=C 1N[CH](Cc2c[nH]c3ccccc23)C(=O)N[CH]1Cc4c [nH]c5ccccc45 |
(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
| 44017 | UYN | 1 | C12 H21 N9 | InChI=1S/C12H19N9/c1-6(18 -20-11(14)15)8-3-9(5-10(1 3)4-8)7(2)19-21-12(16)17/ h3-5H,13H2,1-2H3,(H4,14,1 5,20)(H4,16,17,21)/p+2/b1 8-6+,19-7+; OJEQEZWXYYTFQK-JRGWAENISA-P |
CC(=NNC(=[NH2+])N)c1cc(cc(c1)N)C(=NNC(=[ NH2+])N)C; C/C(=N\NC(=[NH2+])N)/c1cc(cc( c1)/C(=N/NC(=[NH2+])N)/C)N; CC(=NNC(N)=[ NH2+])c1cc(N)cc(c1)C(C)=NNC(N)=[NH2+]; C C(=N\NC(N)=[NH2+])/c1cc(N)cc(c1)\C(C)=N\ NC(N)=[NH2+] |
[[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl)methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium; BEV241 |
| 44018 | UYO | 1 | C27 H43 N O4 | InChI=1S/C27H43NO4/c1-18( 8-6-14-26(3,4)28(31)32)23 -12-13-24-20(9-7-15-27(23 ,24)5)10-11-21-16-22(29)1 7-25(30)19(21)2/h10-11,18 ,22-25,29-30H,2,6-9,12-17 H2,1,3-5H3/b20-10+,21-11- /t18-,22-,23-,24+,25+,27- /m1/s1; SSROHWHVGDBOBJ-NKMMMXOESA-N |
C[C@H](CCCC(C)(C)[N](=O)=O)[C@H]1CC[C@H] 2/C(CCC[C@]12C)=C/C=C\3C[C@@H](O)C[C@H]( O)C\3=C; C[CH](CCCC(C)(C)[N](=O)=O)[CH]1 CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O )C3=C; CC(CCCC(C)(C)N(=O)=O)C1CCC2C1(CCC C2=CC=C3CC(CC(C3=C)O)O)C; C[C@H](CCCC(C) (C)N(=O)=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2 =C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C |
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-nitro-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol; 25-nitro derivative of 1,25D3 |
| 44019 | UYP | 1 | C31 H35 N13 O7 | InChI=1S/C31H35N13O7/c1-4 2(11-17-22(46)23(47)29(51 -17)43-14-39-19-25(32)35- 12-37-27(19)43)9-5-8-18-4 1-20-26(33)36-13-38-28(20 )44(18)30-24(48)21(45)16( 50-30)10-34-31(49)40-15-6 -3-2-4-7-15/h2-4,6-7,12-1 4,16-17,21-24,29-30,45-48 H,9-11H2,1H3,(H2,32,35,37 )(H2,33,36,38)(H2,34,40,4 9)/t16-,17-,21-,22-,23-,2 4-,29-,30-/m1/s1; FBNSVAQFHOUOTK-OZZDRAHTSA-N |
CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O )Nc4ccccc4)[CH](O)[CH]3O)C[CH]5O[CH]([CH ](O)[CH]5O)n6cnc7c(N)ncnc67; CN(CC#Cc1nc 2c(N)ncnc2n1[C@@H]3O[C@H](CNC(=O)Nc4cccc c4)[C@@H](O)[C@H]3O)C[C@H]5O[C@H]([C@H]( O)[C@@H]5O)n6cnc7c(N)ncnc67; CN(CC#Cc1nc 2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C NC(=O)Nc4ccccc4)O)O)N)C[C@@H]5[C@H]([C@H ]([C@@H](O5)n6cnc7c6ncnc7N)O)O; CN(CC#Cc 1nc2c(ncnc2n1C3C(C(C(O3)CNC(=O)Nc4ccccc4 )O)O)N)CC5C(C(C(O5)n6cnc7c6ncnc7N)O)O |
1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-phenyl-urea |
| 44020 | UYQ | 6 | C10 H16 N8 | InChI=1S/C10H14N8/c11-9(1 2)17-15-5-7-1-2-8(4-3-7)6 -16-18-10(13)14/h1-6H,(H4 ,11,12,17)(H4,13,14,18)/p +2/b15-5+,16-6+; DJQYBCUFGZTQSR-IAGONARPSA-P |
c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[N H2+])N; c1cc(ccc1C=NNC(=[NH2+])N)C=NNC(= [NH2+])N; NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC (N)=[NH2+]; NC(=[NH2+])N\N=C\c1ccc(cc1)\ C=N\NC(N)=[NH2+] |
[[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium |
| 44021 | UYR ZINC000005949525 |
1 | C8 H6 N2 O S | InChI=1S/C8H6N2OS/c9-4-7( 8(10)11)3-6-1-2-12-5-6/h1 -3,5H,(H2,10,11)/b7-3+; ZXICRUZKUISQPW-XVNBXDOJSA-N |
NC(=O)C(=Cc1cscc1)C#N; c1cscc1C=C(C#N)C( =O)N; c1cscc1/C=C(\C#N)/C(=O)N; NC(=O)/C (=C/c1cscc1)C#N; O=C(N)C(=C/c1ccsc1)/C#N |
(2E)-2-cyano-3-(thiophen-3-yl)prop-2-enamide |
| 44022 | UYS CHEMBL5276282 |
0 | C16 H17 N7 O | InChI=1S/C16H17N7O/c1-23( 2)14-11(9-8-10-6-4-3-5-7- 10)20-12(13(17)21-14)15(2 4)22-16(18)19/h3-7H,1-2H3 ,(H2,17,21)(H4,18,19,22,2 4); RQKKLGFFJIDEHC-UHFFFAOYSA-N |
c1(c(N(C)C)nc(N)c(n1)C(\N=C(/N)N)=O)C#Cc 2ccccc2; CN(C)c1nc(N)c(nc1C#Cc2ccccc2)C( =O)N=C(N)N; CN(C)c1c(nc(c(n1)N)C(=O)N=C( N)N)C#Cc2ccccc2 |
3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide |
| 44023 | UYT | 3 | C9 H13 N4 | InChI=1S/C9H12N4/c1-7(12- 13-9(10)11)8-5-3-2-4-6-8/ h2-6H,1H3,(H4,10,11,13)/p +1/b12-7+; MRKZNCISKCWGLP-KPKJPENVSA-O |
CC(=NNC(=[NH2+])N)c1ccccc1; C/C(=N\NC(=[ NH2+])N)/c1ccccc1; CC(=NNC(N)=[NH2+])c1c cccc1; C\C(=N/NC(N)=[NH2+])c1ccccc1 |
[azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium; Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium; 7377553 |
| 44024 | UYU | 1 | C27 H45 N O2 | InChI=1S/C27H45NO2/c1-18( 8-6-14-26(3,4)28)23-12-13 -24-20(9-7-15-27(23,24)5) 10-11-21-16-22(29)17-25(3 0)19(21)2/h10-11,18,22-25 ,29-30H,2,6-9,12-17,28H2, 1,3-5H3/b20-10+,21-11-/t1 8-,22-,23-,24+,25+,27-/m1 /s1; HGOIEBJZJNYVQW-NKMMMXOESA-N |
CC(CCCC(C)(C)N)C1CCC2C1(CCCC2=CC=C3CC(CC (C3=C)O)O)C; C[C@H](CCCC(C)(C)N)[C@H]1CC [C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C @@H](C3=C)O)O)C; C[C@H](CCCC(C)(C)N)[C@H ]1CC[C@H]2/C(CCC[C@]12C)=C/C=C\3C[C@@H]( O)C[C@H](O)C\3=C; C[CH](CCCC(C)(C)N)[CH] 1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH]( O)C3=C |
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| 44025 | UYW | 1 | C15 H16 Cl N4 O | InChI=1S/C15H15ClN4O/c16- 13-7-5-11(6-8-13)10-21-14 -4-2-1-3-12(14)9-19-20-15 (17)18/h1-9H,10H2,(H4,17, 18,20)/p+1/b19-9+; QLZIJPLTRJOVDN-DJKKODMXSA-O |
c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2 )Cl; NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)c c2; c1ccc(c(c1)C=NNC(=[NH2+])N)OCc2ccc(c c2)Cl; NC(=[NH2+])N/N=C/c1ccccc1OCc2ccc( Cl)cc2 |
[azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium |
| 44026 | UYX CHEMBL51 DB12465 ZINC000000537877 |
1 | C22 H22 F N3 O3 | InChI=1S/C22H22FN3O3/c23- 17-7-5-15(6-8-17)20(27)16 -9-11-25(12-10-16)13-14-2 6-21(28)18-3-1-2-4-19(18) 24-22(26)29/h1-8,16H,9-14 H2,(H,24,29); FPCCSQOGAWCVBH-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C( =O)c4ccc(cc4)F; Fc1ccc(cc1)C(=O)C2CCN(CC 2)CCN3C(=O)Nc4ccccc4C3=O |
3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione |
| 44027 | UYY CHEMBL2436421 ZINC000000410136 |
5 | C8 H9 N O2 | InChI=1S/C8H9NO2/c1-11-7- 5-3-2-4-6(7)8(9)10/h2-5H, 1H3,(H2,9,10); MNWSGMTUGXNYHJ-UHFFFAOYSA-N |
COc1ccccc1C(=O)N; COc1ccccc1C(N)=O | 2-methoxybenzamide |
| 44028 | UYZ CHEMBL5084119 |
1 | C28 H37 N7 O | InChI=1S/C28H37N7O/c1-27( 2)8-13-33(14-9-27)17-21-3 -5-22(6-4-21)35-18-24(36) 32-28(19-35)10-15-34(16-1 1-28)26-23-7-12-29-25(23) 30-20-31-26/h3-7,12,20H,8 -11,13-19H2,1-2H3,(H,32,3 6)(H,29,30,31); BJJFIFKPWWSNGM-UHFFFAOYSA-N |
CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN (CC4)c5ncnc6[nH]ccc56)C3; CC1(CCN(CC1)Cc 2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[n H]c6ncn5)C |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one; 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one |
| 44029 | UZ0 ZINC000006091560 |
3 | C9 H11 N5 O5 | InChI=1S/C9H11N5O5/c10-13 -12-6-7(17)4(3-15)19-8(6) 14-2-1-5(16)11-9(14)18/h1 -2,4,6-8,15,17H,3H2,(H,11 ,16,18)/t4-,6-,7-,8-/m1/s 1; MRUKYOQQKHNMFI-XVFCMESISA-N |
OC[C@H]1O[C@H]([C@H](N=[N+]=[N-])[C@@H]1 O)N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C( C(C(O2)CO)O)N=[N+]=[N-]; C1=CN(C(=O)NC1= O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N +]=[N-]; OC[CH]1O[CH]([CH](N=[N+]=[N-])[ CH]1O)N2C=CC(=O)NC2=O; N1(C=CC(NC1=O)=O) C2OC(C(C2N=[N+]=[N-])O)CO |
2'-azido-2'-deoxyuridine |
| 44030 | UZ1 ZINC000008437671 |
0 | C3 H7 N | InChI=1S/C3H7N/c4-3-1-2-3 /h3H,1-2,4H2; HTJDQJBWANPRPF-UHFFFAOYSA-N |
NC1CC1; C1CC1N | cyclopropanamine |
| 44031 | UZ2 CHEMBL5081806 |
1 | C28 H41 N7 O | InChI=1S/C28H41N7O/c1-27( 2)9-13-33(14-10-27)18-22- 5-7-23(8-6-22)35-19-26(36 )32(4)28(20-35)11-15-34(1 6-12-28)25-17-24(29-3)30- 21-31-25/h5-8,17,21H,9-16 ,18-20H2,1-4H3,(H,29,30,3 1); QIXCWPPRGHCUNI-UHFFFAOYSA-N |
CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3C)c4cc c(CN5CCC(C)(C)CC5)cc4; CC1(CCN(CC1)Cc2cc c(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5) NC)C)C |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 44032 | UZ3 | 2 | C15 H13 Cl2 N3 O3 | InChI=1S/C15H13Cl2N3O3/c1 -23-11-2-3-12(14(18)21)13 (7-11)20-15(22)19-10-5-8( 16)4-9(17)6-10/h2-7H,1H3, (H2,18,21)(H2,19,20,22); LGINOCHKOLUZAO-UHFFFAOYSA-N |
COc1ccc(c(c1)NC(=O)Nc2cc(cc(c2)Cl)Cl)C(= O)N; COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc( Cl)c2)c1 |
2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide |
| 44033 | UZ4 | 0 | C8 H14 N2 O4 | InChI=1S/C8H14N2O4/c9-5(6 (11)8(13)14)3-4-1-2-10-7( 4)12/h4-6,11H,1-3,9H2,(H, 10,12)(H,13,14)/t4-,5-,6+ /m0/s1; YERLKFCTXVNUDF-HCWXCVPCSA-N |
C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N ; N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)C(O)= O; N[CH](C[CH]1CCNC1=O)[CH](O)C(O)=O; NC (C(O)C(O)=O)CC1CCNC1=O; C1CNC(=O)C1CC(C( C(=O)O)O)N |
(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid |
| 44034 | UZ5 CHEMBL5077332 |
1 | C27 H37 F2 N7 O | InChI=1S/C27H37F2N7O/c1-2 6(2)4-8-34(9-5-26)15-19-1 2-21(29)22(13-20(19)28)36 -16-25(37)33-27(17-36)6-1 0-35(11-7-27)24-14-23(30- 3)31-18-32-24/h12-14,18H, 4-11,15-17H2,1-3H3,(H,33, 37)(H,30,31,32); GYWOVBUGFWWSJR-UHFFFAOYSA-N |
CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3) CCN(CC4)c5cc(ncn5)NC)F)C; CNc1cc(ncn1)N2 CCC3(CC2)CN(CC(=O)N3)c4cc(F)c(CN5CCC(C)( C)CC5)cc4F |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 44035 | UZ6 | 1 | C29 H40 N14 O7 | InChI=1S/C29H40N14O7/c1-2 -33-29(48)34-9-14-19(44)2 2(47)28(49-14)43-16(40-18 -24(32)36-12-38-26(18)43) 5-3-7-41(8-4-6-30)10-15-2 0(45)21(46)27(50-15)42-13 -39-17-23(31)35-11-37-25( 17)42/h11-15,19-22,27-28, 44-47H,2,4,6-10,30H2,1H3, (H2,31,35,37)(H2,32,36,38 )(H2,33,34,48)/t14-,15-,1 9-,20-,21-,22-,27-,28-/m1 /s1; NLIDPGPXZZCUQI-VYHVXXRISA-N |
CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(n c3c(N)ncnc23)C#CCN(CCCN)C[CH]4O[CH]([CH] (O)[CH]4O)n5cnc6c(N)ncnc56; CCNC(=O)NCC1 C(C(C(O1)n2c(nc3c2ncnc3N)C#CCN(CCCN)CC4C (C(C(O4)n5cnc6c5ncnc6N)O)O)O)O; CCNC(=O) NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2 ncnc3N)C#CCN(CCCN)C[C@@H]4[C@H]([C@H]([C @@H](O4)n5cnc6c5ncnc6N)O)O)O)O; CCNC(=O) NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c(nc3c (N)ncnc23)C#CCN(CCCN)C[C@H]4O[C@H]([C@H] (O)[C@@H]4O)n5cnc6c(N)ncnc56 |
1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea |
| 44036 | UZ7 ZINC000005555526 |
0 | C7 H6 O3 | InChI=1S/C7H6O3/c8-7(9)10 -6-4-2-1-3-5-6/h1-5H,(H,8 ,9); QIIPQYDSKRYMFG-UHFFFAOYSA-N |
c1cc(ccc1)OC(O)=O; OC(=O)Oc1ccccc1; c1cc c(cc1)OC(=O)O |
phenyl hydrogen carbonate |
| 44037 | UZ8 | 6 | C11 H14 N2 O S | InChI=1S/C11H14N2OS/c1-15 -10-9(5-4-6-12-10)11(14)1 3-7-2-3-8-13/h4-6H,2-3,7- 8H2,1H3; NVMKKNCLFDOZEG-UHFFFAOYSA-N |
O=C(c1cccnc1SC)N1CCCC1; CSc1c(cccn1)C(=O )N2CCCC2; CSc1ncccc1C(=O)N2CCCC2 |
[2-(methylsulfanyl)pyridin-3-yl](pyrrolidin-1-yl)methanone |
| 44038 | UZ9 ZINC000058649982 |
0 | C30 H50 N2 O4 | InChI=1S/C30H50N2O4/c1-19 (7-12-27(34)32-17-5-4-6-2 6(31)28(35)36)23-10-11-24 -22-9-8-20-18-21(33)13-15 -29(20,2)25(22)14-16-30(2 3,24)3/h19-20,22-26H,4-18 ,31H2,1-3H3,(H,32,34)(H,3 5,36)/t19-,20-,22+,23-,24 +,25+,26+,29+,30-/m1/s1; NZNFUUCLWNSFAF-HLKVRRRCSA-N |
C[CH](CCC(=O)NCCCC[CH](N)C(O)=O)[CH]1CC[ CH]2[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC[C ]12C; C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N )[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[ C@H]4[C@@]3(CCC(=O)C4)C)C; C[C@H](CCC(=O )NCCCC[C@H](N)C(O)=O)[C@H]1CC[C@H]2[C@@H ]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]1 2C; O=C(O)C(N)CCCCNC(=O)CCC(C1CCC2C1(C)C CC4C2CCC3CC(=O)CCC34C)C; CC(CCC(=O)NCCCC C(C(=O)O)N)C1CCC2C1(CCC3C2CCC4C3(CCC(=O) C4)C)C |
(2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-10,13-DIMETHYL-3-OXOHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL}AMINO)HEXANOIC ACID |
| 44039 | UZA | 0 | C10 H19 N O2 | InChI=1S/C10H19NO2/c1-3-4 -5-6-7-8-10(2,11)9(12)13/ h4-5H,3,6-8,11H2,1-2H3,(H ,12,13)/b5-4+/t10-/m0/s1; FTUDBYYFEJZDPE-YEZKRMTDSA-N |
CC/C=C/CCC[C@@](C)(C(=O)O)N; CCC=CCCC[C] (C)(N)C(O)=O; NC(C(=O)O)(C)CCC\C=C\CC; C CC=CCCCC(C)(C(=O)O)N; CC\C=C\CCC[C@](C)( N)C(O)=O |
(2S,6E)-2-amino-2-methylnon-6-enoic acid |
| 44040 | UZB CHEMBL5076974 |
1 | C28 H36 Cl N7 O | InChI=1S/C28H36ClN7O/c1-2 7(2)8-13-34(14-9-27)17-20 -3-5-21(6-4-20)36-18-23(3 7)33-28(19-36)10-15-35(16 -11-28)25-22-7-12-30-24(2 2)31-26(29)32-25/h3-7,12H ,8-11,13-19H2,1-2H3,(H,33 ,37)(H,30,31,32); QFCRIUPWCMVQHW-UHFFFAOYSA-N |
CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CC N(CC4)c5c6cc[nH]c6nc(n5)Cl)C; CC1(C)CCN( CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5nc( Cl)nc6[nH]ccc56)C3 |
9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 44041 | UZC | 1 | C4 B18 Fe | InChI=1S/2C2B9.Fe/c1-2-4- 5-3(1)7(1)6(1,2)8(2,4)10( 4,5)9(3,5,7)11(6,7,8)10;3 -4-1-2-5(3)7-6(3,4)10(1,4 )8(7)9(1,2,10)11(2,5,7)8; /q-3;-2;+5; WLMSHMZRXWOHCU-UHFFFAOYSA-N |
B12[B+]34[B-]56[B]78[B]39%10[C]%11%12[C] %13%14[B]15([B]67%13[B]89%11%14)[Fe]%15% 16([B]24%10%12)[B]%17%18%19[C]%20%21[C]% 22%23[B]%20%24%25[B]%17%21%26[B]%24%27%2 8[B]%22%25%29[B]%27%30%31[B]%18%26%28[B] %15%19%30[B]%16%23%29%31; B12[B+]34[B-]5 6[B]78[B]39%10[C@@]%11%12[C@@]%13%14[B]1 5([B]67%13[B]89%11%14)[Fe]%15%16([B]24%1 0%12)[B]%17%18%19[C@@]%20%21[C@@]%22%23[ B]%20%24%25[B]%17%21%26[B]%24%27%28[B]%2 2%25%29[B]%27%30%31[B]%18%26%28[B]%15%19 %30[B]%16%23%29%31; B123B45B67B189B212B3 3B44%10B565[Fe]78678%11%12(C911B234C%105 16)B123B745B116B227B833B228B711B644B121C %1145C%12813 |
3,3'-commo-bis(1,2-dicarba-3-ferra-closo-dodecaborane) |
| 44042 | UZD | 4 | C15 H29 N O7 | InChI=1S/C15H29NO7/c1-3-4 -5-6-7-8-16-15(20)22-9-10 -11(17)12(18)13(19)14(21- 2)23-10/h10-14,17-19H,3-9 H2,1-2H3,(H,16,20)/t10-,1 1-,12-,13+,14-/m0/s1; XPIVOYOQXKNYHA-YHQUGGNUSA-N |
CCCCCCCNC(=O)OC[C@@H]1O[C@H](OC)[C@H](O) [C@@H](O)[C@H]1O; CCCCCCCNC(=O)OC[CH]1O[ CH](OC)[CH](O)[CH](O)[CH]1O; O=C(OCC1OC( C(C(C1O)O)O)OC)NCCCCCCC; CCCCCCCNC(=O)OC [C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O) O)O; CCCCCCCNC(=O)OCC1C(C(C(C(O1)OC)O)O) O |
methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside |
| 44043 | UZE CHEMBL5092743 |
1 | C27 H38 F N7 O | InChI=1S/C27H38FN7O/c1-26 (2)6-10-33(11-7-26)16-20- 4-5-22(21(28)14-20)35-17- 25(36)32-27(18-35)8-12-34 (13-9-27)24-15-23(29-3)30 -19-31-24/h4-5,14-15,19H, 6-13,16-18H2,1-3H3,(H,32, 36)(H,29,30,31); JFMKIJDUIQGGII-UHFFFAOYSA-N |
CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3 )CCN(CC4)c5cc(ncn5)NC)C; CNc1cc(ncn1)N2C CC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC 5)cc4F |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 44044 | UZF | 1 | C16 H15 N O S | InChI=1S/C16H15NOS/c18-16 (11-19)17-14-7-3-1-5-12(1 4)9-10-13-6-2-4-8-15(13)1 7/h1-8,19H,9-11H2; LSKXZDXJGRPCMD-UHFFFAOYSA-N |
c1ccc2c(c1)CCc3ccccc3N2C(=O)CS; SCC(=O)N 1c2ccccc2CCc3ccccc13 |
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone |
| 44045 | UZG | 3 | C22 H20 N4 O3 | InChI=1S/C22H20N4O3/c1-27 -19-10-8-16(12-20(19)28-2 )29-15-6-3-13(4-7-15)22-2 5-17-9-5-14(21(23)24)11-1 8(17)26-22/h3-12H,1-2H3,( H3,23,24)(H,25,26); QMVSFWHTZQVRCC-UHFFFAOYSA-N |
COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n 4)\C(=N)N; [H]/N=C(/c1ccc2c(c1)[nH]c(n2) c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N; COc1ccc( Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N)cc1O C; COc1ccc(cc1OC)Oc2ccc(cc2)c3[nH]c4cc(c cc4n3)C(=N)N |
2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide |
| 44046 | UZH CHEMBL5078591 |
1 | C27 H38 F N7 O | InChI=1S/C27H38FN7O/c1-26 (2)6-10-33(11-7-26)16-20- 4-5-21(14-22(20)28)35-17- 25(36)32-27(18-35)8-12-34 (13-9-27)24-15-23(29-3)30 -19-31-24/h4-5,14-15,19H, 6-13,16-18H2,1-3H3,(H,32, 36)(H,29,30,31); IYZMNTMLBDUPPA-UHFFFAOYSA-N |
CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc (CN5CCC(C)(C)CC5)c(F)c4; CC1(CCN(CC1)Cc2 ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn 5)NC)C |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 44047 | UZJ ZINC000004521357 |
1 | C5 H10 O4 | InChI=1S/C5H10O4/c6-3-1-5 (8)9-2-4(3)7/h3-8H,1-2H2/ t3-,4+,5+/m0/s1; ZVQAVWAHRUNNPG-VPENINKCSA-N |
C1[C@@H]([C@@H](CO[C@H]1O)O)O; O[CH]1C[C H](O)[CH](O)CO1; C1C(C(COC1O)O)O; O[C@H] 1C[C@H](O)[C@H](O)CO1; C1(O)C(CC(O)OC1)O |
2-deoxy-beta-D-ribopyranose; 2-deoxy-beta-D-erythro-pentopyranose |
| 44048 | UZK | 1 | C22 H28 N4 O3 | InChI=1S/C22H28N4O3/c1-13 -8-20(27)24-18-10-15(21(2 8)23-7-6-14-2-3-14)4-5-19 (18)26(13)22(29)25-11-16- 9-17(16)12-25/h4-5,10,13- 14,16-17H,2-3,6-9,11-12H2 ,1H3,(H,23,28)(H,24,27)/t 13-,16-,17+/m0/s1; CKFRXCBNKKOFGO-RRQGHBQHSA-N |
C[CH]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[CH]4C[C H]4C3)C(=O)NCCC5CC5; C[C@H]1CC(=O)Nc2cc( ccc2N1C(=O)N3C[C@@H]4C[C@@H]4C3)C(=O)NCC C5CC5; C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C [C@H]4C[C@H]4C3)C(=O)NCCC5CC5; CC1CC(=O) Nc2cc(ccc2N1C(=O)N3CC4CC4C3)C(=O)NCCC5CC 5 |
(2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide; (2~{S})-1-[[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
| 44049 | UZL CHEMBL176605 ZINC000005998209 |
0 | C10 H15 N3 O5 | InChI=1S/C10H15N3O5/c1-17 -8-7(15)5(4-14)18-9(8)13- 3-2-6(11)12-10(13)16/h2-3 ,5,7-9,14-15H,4H2,1H3,(H2 ,11,12,16)/t5-,7-,8-,9-/m 1/s1; RFCQJGFZUQFYRF-ZOQUXTDFSA-N |
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N2C=CC (=NC2=O)N; CO[CH]1[CH](O)[CH](CO)O[CH]1N 2C=CC(=NC2=O)N; COC1C(C(OC1N2C=CC(=NC2=O )N)CO)O; CO[C@@H]1[C@@H]([C@H](O[C@H]1N2 C=CC(=NC2=O)N)CO)O |
O2'-methylycytidine; 4-azanyl-1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one |
| 44050 | UZM | 1 | C14 H18 Cl2 N2 O3 S | InChI=1S/C14H18Cl2N2O3S/c 15-10-2-3-11(12(16)8-10)9 (7-14(20)18-21)6-13(19)17 -4-1-5-22/h2-3,8-9,21-22H ,1,4-7H2,(H,17,19)(H,18,2 0)/t9-/m0/s1; IGKGDGVXYQXVLZ-VIFPVBQESA-N |
c1cc(c(cc1Cl)Cl)C(CC(=O)NCCCS)CC(=O)NO; ONC(=O)C[CH](CC(=O)NCCCS)c1ccc(Cl)cc1Cl; c1c(cc(c(c1)C(CC(NO)=O)CC(=O)NCCCS)Cl)C l; c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC (=O)NO; ONC(=O)C[C@H](CC(=O)NCCCS)c1ccc( Cl)cc1Cl |
(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide |
| 44051 | UZN | 0 | C7 H16 N2 O2 | InChI=1S/C7H16N2O2/c1-2-3 -4-6(8)5-9-7(10)11/h6,9H, 2-5,8H2,1H3,(H,10,11)/t6- /m0/s1; GSVUHFSDGXYXHO-LURJTMIESA-N |
CCCCC(CNC(=O)O)N; CCCC[CH](N)CNC(O)=O; C CCC[C@H](N)CNC(O)=O; CCCC[C@@H](CNC(=O)O )N |
[(2~{S})-2-azanylhexyl]carbamic acid |
| 44052 | UZO | 1 | C34 H42 N14 O7 | InChI=1S/C34H42N14O7/c35- 9-5-11-46(14-20-25(50)26( 51)32(55-20)47-17-44-22-2 8(36)40-15-42-30(22)47)10 -4-8-21-45-23-29(37)41-16 -43-31(23)48(21)33-27(52) 24(49)19(54-33)13-39-34(5 3)38-12-18-6-2-1-3-7-18/h 1-3,6-7,15-17,19-20,24-27 ,32-33,49-52H,5,9-14,35H2 ,(H2,36,40,42)(H2,37,41,4 3)(H2,38,39,53)/t19-,20+, 24-,25-,26-,27-,32+,33+/m 1/s1; GGSIMEWGMXDKIG-CHNVMXDGSA-N |
c1ccc(cc1)CNC(=O)NCC2C(C(C(O2)n3c(nc4c3n cnc4N)C#CCN(CCCN)CC5C(C(C(O5)n6cnc7c6ncn c7N)O)O)O)O; NCCCN(CC#Cc1nc2c(N)ncnc2n1[ CH]3O[CH](CNC(=O)NCc4ccccc4)[CH](O)[CH]3 O)C[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)nc nc67; NCCCN(CC#Cc1nc2c(N)ncnc2n1[C@H]3O[ C@H](CNC(=O)NCc4ccccc4)[C@@H](O)[C@H]3O) C[C@@H]5O[C@@H]([C@H](O)[C@@H]5O)n6cnc7c (N)ncnc67; c1ccc(cc1)CNC(=O)NC[C@@H]2[C@ H]([C@H]([C@@H](O2)n3c(nc4c3ncnc4N)C#CCN (CCCN)C[C@@H]5[C@H]([C@H]([C@@H](O5)n6cn c7c6ncnc7N)O)O)O)O |
1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-(phenylmethyl)urea |
| 44053 | UZP | 1 | C16 H22 Cl2 N2 O3 | InChI=1S/C16H22Cl2N2O3/c1 -2-3-4-7-19-15(21)8-11(9- 16(22)20-23)13-6-5-12(17) 10-14(13)18/h5-6,10-11,23 H,2-4,7-9H2,1H3,(H,19,21) (H,20,22)/t11-/m1/s1; FHIDAHOTTVOIDA-LLVKDONJSA-N |
CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(Cl)cc1C l; CCCCCNC(=O)CC(CC(=O)NO)c1ccc(cc1Cl)Cl ; CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl )Cl; CCCCCNC(=O)C[CH](CC(=O)NO)c1ccc(Cl) cc1Cl; c1c(cc(c(C(CC(=O)NCCCCC)CC(=O)NO) c1)Cl)Cl |
(3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide |
| 44054 | UZQ | 1 | C22 H24 F N3 O3 | InChI=1S/C22H24FN3O3/c1-3 -4-11-24-21(28)15-9-10-19 -18(13-15)25-20(27)12-14( 2)26(19)22(29)16-7-5-6-8- 17(16)23/h5-10,13-14H,3-4 ,11-12H2,1-2H3,(H,24,28)( H,25,27)/t14-/m0/s1; RZHHEEJRHNWMHI-AWEZNQCLSA-N |
CCCCNC(=O)c1ccc2N([C@@H](C)CC(=O)Nc2c1)C (=O)c3ccccc3F; CCCCNC(=O)c1ccc2c(c1)NC(= O)C[C@@H](N2C(=O)c3ccccc3F)C; CCCCNC(=O) c1ccc2c(c1)NC(=O)CC(N2C(=O)c3ccccc3F)C; CCCCNC(=O)c1ccc2N([CH](C)CC(=O)Nc2c1)C(= O)c3ccccc3F |
(2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide; (2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
| 44055 | UZR ZINC000098209516 |
2 | C9 H13 N5 O8 P | InChI=1S/C9H12N5O8P/c10-1 3-12-6-7(16)4(3-21-23(18, 19)20)22-8(6)14-2-1-5(15) 11-9(14)17/h1-2,4,6-8,10, 16H,3H2,(H2-,11,15,17,18, 19,20)/p+1/t4-,6-,7-,8-/m 1/s1; FKBDCNLBVFTTRL-XVFCMESISA-O |
O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(\N=[ N+]=[N@H])C2O; O[C@@H]1[C@@H](CO[P](O)(O )=O)O[C@H]([C@@H]1N=[N+]=N)N2C=CC(=O)NC2 =O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)( O)O)O)N=[N+]=N; C1=CN(C(=O)NC1=O)[C@H]2[ C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N +]=N; O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH ]1N=[N+]=N)N2C=CC(=O)NC2=O |
2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate |
| 44056 | UZS | 1 | C7 H15 N O2 S | InChI=1S/C7H15NO2S/c9-7(8 -10)5-3-1-2-4-6-11/h10-11 H,1-6H2,(H,8,9); XKCHGAJRKPXTNT-UHFFFAOYSA-N |
C(CCCS)CCC(=O)NO; ONC(=O)CCCCCCS; ONC(CC CCCCS)=O |
N-hydroxy-7-sulfanylheptanamide |
| 44057 | UZT CHEMBL5665427 |
1 | C22 H31 N5 O3 | InChI=1S/C22H31N5O3/c1-14 -12-20(28)25-18-13-16(21( 29)24-9-6-15-2-3-15)4-5-1 9(18)27(14)22(30)26-10-7- 17(23)8-11-26/h4-5,13-15, 17H,2-3,6-12,23H2,1H3,(H, 24,29)(H,25,28)/t14-/m0/s 1; YEYZZZLQSMITHG-AWEZNQCLSA-N |
C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(N)CC 3)C(=O)NCCC4CC4; C[C@H]1CC(=O)Nc2cc(ccc2 N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4; C[CH]1 CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(N)CC3)C(=O) NCCC4CC4; CC1CC(=O)Nc2cc(ccc2N1C(=O)N3CC C(CC3)N)C(=O)NCCC4CC4 |
(2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide; (2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
| 44058 | UZV | 1 | C5 H11 N O2 S | InChI=1S/C5H11NO2S/c7-5(6 -8)3-1-2-4-9/h8-9H,1-4H2, (H,6,7); FTZSDBLOZDZSRD-UHFFFAOYSA-N |
C(CCS)CC(=O)NO; ONC(=O)CCCCS; C(CCCCS)(N O)=O |
N-hydroxy-5-sulfanylpentanamide |
| 44059 | UZW CHEMBL4448410 |
4 | C13 H11 N5 O2 S | InChI=1S/C13H11N5O2S/c19- 13(15-20)10-5-3-9(4-6-10) 8-18-12(14-16-17-18)11-2- 1-7-21-11/h1-7,20H,8H2,(H ,15,19); UFUGFWWXDWPEQE-UHFFFAOYSA-N |
c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO; ONC( =O)c1ccc(Cn2nnnc2c3sccc3)cc1 |
~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide |
| 44060 | UZX | 3 | C14 H11 Cl2 N3 O2 | InChI=1S/C14H11Cl2N3O2/c1 5-8-5-9(16)7-10(6-8)18-14 (21)19-12-4-2-1-3-11(12)1 3(17)20/h1-7H,(H2,17,20)( H2,18,19,21); CKNONNNNSSNDHJ-UHFFFAOYSA-N |
NC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2; c 1ccc(c(c1)C(=O)N)NC(=O)Nc2cc(cc(c2)Cl)Cl |
2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide |
| 44061 | UZY | 1 | C6 H13 N O2 S | InChI=1S/C6H13NO2S/c8-6(7 -9)4-2-1-3-5-10/h9-10H,1- 5H2,(H,7,8); UVHGRHBRZBMHBD-UHFFFAOYSA-N |
C(CCC(=O)NO)CCS; C(CCCCCS)(NO)=O; ONC(=O )CCCCCS |
N-hydroxy-6-sulfanylhexanamide |
| 44062 | UZZ | 2 | C33 H55 N11 O6 | InChI=1S/C33H55N11O6/c34- 15-7-4-12-24-30(48)38-17- 9-6-14-25(44-33(36)37)31( 49)41-21-28(46)40-20-27(4 5)39-19-23(18-22-10-2-1-3 -11-22)29(47)42-26(32(50) 43-24)13-5-8-16-35/h1-3,1 0-11,23-26H,4-9,12-21,34- 35H2,(H,38,48)(H,39,45)(H ,40,46)(H,41,49)(H,42,47) (H,43,50)(H4,36,37,44)/t2 3-,24-,25+,26-/m0/s1; PQMSGIZCMOTKLV-SSUZURRFSA-N |
NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H ](CNC(=O)CNC(=O)CNC(=O)[C@@H](CCCCNC1=O) NC(N)=N)Cc2ccccc2; NCCCC[CH]1NC(=O)[CH]( CCCCN)NC(=O)[CH](CNC(=O)CNC(=O)CNC(=O)[C H](CCCCNC1=O)NC(N)=N)Cc2ccccc2; c1ccc(cc 1)CC2CNC(=O)CNC(=O)CNC(=O)C(CCCCNC(=O)C( NC(=O)C(NC2=O)CCCCN)CCCCN)NC(=N)N; [H]/N =C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C @@H](NC(=O)[C@H](CNC(=O)CNC(=O)CNC1=O)Cc 2ccccc2)CCCCN)CCCCN |
1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine |
| 44063 | V | 25 | V | InChI=1S/V/q+3; KOKKJWHERHSKEB-UHFFFAOYSA-N |
[V+3] | VANADIUM ION |
| 44064 | V00 | 3 | C26 H29 F N2 O2 | InChI=1S/C26H29FN2O2/c1-1 8(25-16-23(31-2)15-21-7-3 -4-9-24(21)25)29-12-10-20 (11-13-29)26(30)28-17-19- 6-5-8-22(27)14-19/h3-9,14 -16,18,20H,10-13,17H2,1-2 H3,(H,28,30)/t18-/m1/s1; VMBLTEVHYLOHOW-GOSISDBHSA-N |
C[C@H](c1cc(cc2c1cccc2)OC)N3CCC(CC3)C(=O )NCc4cccc(c4)F; COc1cc2ccccc2c(c1)[CH](C )N3CCC(CC3)C(=O)NCc4cccc(F)c4; COc1cc2cc ccc2c(c1)[C@@H](C)N3CCC(CC3)C(=O)NCc4ccc c(F)c4; CC(c1cc(cc2c1cccc2)OC)N3CCC(CC3) C(=O)NCc4cccc(c4)F |
~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide |
| 44065 | V01 CHEMBL5200945 |
3 | C24 H21 N5 O4 | InChI=1S/C24H21N5O4/c30-2 2-13-33-20-11-17(5-8-19(2 0)27-22)24(32)29(18-6-7-1 8)12-15-1-3-16(4-2-15)23( 31)28-21-9-10-25-14-26-21 /h1-5,8-11,14,18H,6-7,12- 13H2,(H,27,30)(H,25,26,28 ,31); KOZGEDUWAQFVAV-UHFFFAOYSA-N |
O=C1COc2cc(ccc2N1)C(=O)N(Cc3ccc(cc3)C(=O )Nc4ccncn4)C5CC5; c1cc(ccc1CN(C2CC2)C(=O )c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5; O= C1Nc2c(OC1)cc(cc2)C(=O)N(Cc3ccc(cc3)C(Nc 4ncncc4)=O)C5CC5 |
N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide |
| 44066 | V02 ZINC000095584426 |
1 | C23 H25 N O S | InChI=1S/C23H25NOS/c1-2-1 8-8-6-11-20(16-18)23(26-1 5-14-24,19-9-4-3-5-10-19) 21-12-7-13-22(25)17-21/h3 -13,16-17,25H,2,14-15,24H 2,1H3/t23-/m1/s1; LKEJFEOGGYEWTI-HSZRJFAPSA-N |
CCc1cccc(c1)[C@](SCCN)(c2ccccc2)c3cccc(O )c3; CCc1cccc(c1)C(c2ccccc2)(c3cccc(c3)O )SCCN; CCc1cccc(c1)[C](SCCN)(c2ccccc2)c3 cccc(O)c3; S(C(c1cc(O)ccc1)(c2ccccc2)c3c ccc(c3)CC)CCN; CCc1cccc(c1)[C@](c2ccccc2 )(c3cccc(c3)O)SCCN |
3-[(R)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol |
| 44067 | V03 ZINC000004262562 |
1 | C10 H15 N O2 | InChI=1S/C10H15NO2/c1-13- 9-4-2-8(3-5-9)10(11)6-7-1 2/h2-5,10,12H,6-7,11H2,1H 3/t10-/m0/s1; WHWMCHUIUINGOD-JTQLQIEISA-N |
COc1ccc(cc1)C(CCO)N; COc1ccc(cc1)C(N)CCO ; COc1ccc(cc1)[CH](N)CCO; COc1ccc(cc1)[C @H](CCO)N; COc1ccc(cc1)[C@@H](N)CCO |
(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol |
| 44068 | V04 CHEMBL2087076 ZINC000084739620 |
1 | C16 H14 F I N4 O3 | InChI=1S/C16H14FIN4O3/c17 -12-7-9(18)1-3-14(12)20-1 5-10(16(24)22-25-6-5-23)2 -4-13-11(15)8-19-21-13/h1 -4,7-8,20,23H,5-6H2,(H,19 ,21)(H,22,24); YMRXJLXWVAGVBT-UHFFFAOYSA-N |
c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NO CCO; OCCONC(=O)c1ccc2[nH]ncc2c1Nc3ccc(I) cc3F; Ic1ccc(c(F)c1)Nc2c(ccc3c2cnn3)C(=O )NOCCO |
4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide |
| 44069 | V05 CHEMBL4470373 |
1 | C13 H9 F2 N7 O2 | InChI=1S/C13H9F2N7O2/c14- 9-4-7(13(23)20-24)5-10(15 )8(9)6-22-19-12(18-21-22) 11-16-2-1-3-17-11/h1-5,24 H,6H2,(H,20,23); IAJVLFQKWJCAML-UHFFFAOYSA-N |
ONC(=O)c1cc(F)c(Cn2nnc(n2)c3ncccn3)c(F)c 1; c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O) NO)F |
3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide |
| 44070 | V06 CHEMBL5413115 ZINC000019015182 |
4 | C5 H5 Br N2 | InChI=1S/C5H5BrN2/c6-4-3- 8-2-1-5(4)7/h1-3H,(H2,7,8 ); DDQYSZWFFXOXER-UHFFFAOYSA-N |
Nc1ccncc1Br; c1cncc(c1N)Br | 3-bromopyridin-4-amine |
| 44071 | V07 CHEMBL5080838 ZINC000015839964 |
2 | C19 H21 F N4 | InChI=1S/C19H21FN4/c1-14- 12-18(23-10-4-2-3-5-11-23 )24-19(22-14)17(13-21-24) 15-6-8-16(20)9-7-15/h6-9, 12-13H,2-5,10-11H2,1H3; MWBKFQJPGCZDRF-UHFFFAOYSA-N |
Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4 ; Cc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1 ; c3(n1c(c(cn1)c2ccc(cc2)F)nc(C)c3)N4CCC CCC4 |
7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine; MAC-0547630 |
| 44072 | V08 | 6 | C7 H12 O4 | InChI=1S/C7H12O4/c1-4(2)5 (3-8)6(9)7(10)11/h3-6,9H, 1-2H3,(H,10,11)/t5-,6+/m0 /s1; YIJPJSMEWHRJCU-NTSWFWBYSA-N |
CC(C)C(C=O)C(C(=O)O)O; CC(C)[C@H](C=O)[C @H](C(=O)O)O; CC(C)[CH](C=O)[CH](O)C(O)= O; CC(C)[C@H](C=O)[C@@H](O)C(O)=O |
(2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid |
| 44073 | V09 | 1 | C25 H24 N10 O4 | InChI=1S/C25H24N10O4/c26- 21-17-23(30-11-28-21)35(1 3-32-17)25-20(37)19(36)15 (39-25)10-38-8-4-7-16-33- 18-22(27)29-12-31-24(18)3 4(16)9-14-5-2-1-3-6-14/h1 -3,5-6,11-13,15,19-20,25, 36-37H,8-10H2,(H2,26,28,3 0)(H2,27,29,31)/t15-,19-, 20-,25-/m1/s1; XLLUWHJOLMVTMI-NQAQNOALSA-N |
c1ccc(cc1)Cn2c(nc3c2ncnc3N)C#CCOCC4C(C(C (O4)n5cnc6c5ncnc6N)O)O; Nc1ncnc2n(cnc12) [CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4Cc6cccc c6)[CH](O)[CH]3O; c1ccc(cc1)Cn2c(nc3c2nc nc3N)C#CCOC[C@@H]4[C@H]([C@H]([C@@H](O4) n5cnc6c5ncnc6N)O)O; Nc1ncnc2n(cnc12)[C@@ H]3O[C@H](COCC#Cc4nc5c(N)ncnc5n4Cc6ccccc 6)[C@@H](O)[C@H]3O |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynoxymethyl]oxolane-3,4-diol |
| 44074 | V0A | 8 | C22 H27 N O5 | InChI=1S/C22H27NO5/c1-12( 6-8-16(24)19-17(25)11-23- 21(19)26)10-13(2)20-15(4) 18-9-7-14(3)22(5,27-18)28 -20/h6-8,10-11,13,15,18,2 0,24H,9H2,1-5H3/b8-6+,12- 10+,19-16+/t13-,15+,18-,2 0-,22-/m1/s1; MHIKRZGCDBIVFG-IVGQTCGHSA-N |
CC1C2CC=C(C(O2)(OC1C(C)C=C(C)C=CC(=C3C(= O)C=NC3=O)O)C)C; C2(C)C1CC=C(C(O1)(C)OC2 C(C)[C@H]=C(C)[C@H]=[C@H]/C(O)=C3/C(C=NC 3=O)=O)C; C[CH](C=C(C)C=CC(O)=C1C(=O)C=N C1=O)[CH]2O[C]3(C)O[CH](CC=C3C)[CH]2C; C [C@H](/C=C(C)/C=C/C(O)=C1/C(=O)C=NC1=O)[ C@H]2O[C@@]3(C)O[C@H](CC=C3C)[C@@H]2C; C [C@H]1[C@H]2CC=C([C@](O2)(O[C@@H]1[C@H]( C)/C=C(\C)/C=C/C(=C\3/C(=O)C=NC3=O)/O)C) C |
(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione; Tirandamycin C |
| 44075 | V0B CHEMBL5423404 |
1 | C18 H15 N5 O2 | InChI=1S/C18H15N5O2/c1-12 -5-6-15-20-13(11-22(15)10 -12)9-19-18(25)14-8-17(24 )23-7-3-2-4-16(23)21-14/h 2-8,10-11H,9H2,1H3,(H,19, 25); HGTYDECGVDYGCR-UHFFFAOYSA-N |
Cc1ccc2nc(CNC(=O)C3=CC(=O)N4C=CC=CC4=N3) cn2c1; Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N 4C=CC=CC4=N3 |
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide; ~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide |
| 44076 | V0C ZINC000019276060 |
1 | C12 H14 Br N3 | InChI=1S/C12H14BrN3/c13-1 1-3-1-10(2-4-11)12(9-14)1 6-7-5-15-6-8-16/h1-4,12,1 5H,5-8H2/t12-/m1/s1; XVWJNCXBTLEMBD-GFCCVEGCSA-N |
c1cc(ccc1[C@@H](C#N)N2CCNCC2)Br; c1cc(cc c1C(C#N)N2CCNCC2)Br; Brc1ccc(cc1)[C@@H]( C#N)N2CCNCC2; Brc1ccc(cc1)[CH](C#N)N2CCN CC2; Brc1ccc(cc1)C(C#N)N1CCNCC1 |
(2S)-(4-bromophenyl)(piperazin-1-yl)acetonitrile |
| 44077 | V0D CHEMBL5086213 |
1 | C20 H23 F N4 | InChI=1S/C20H23FN4/c1-2-1 7-13-19(24-11-5-3-4-6-12- 24)25-20(23-17)18(14-22-2 5)15-7-9-16(21)10-8-15/h7 -10,13-14H,2-6,11-12H2,1H 3; BQIPJVLJUIILIA-UHFFFAOYSA-N |
CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC 4; CCc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3 n1; C1N(CCCCC1)c4n2c(c(cn2)c3ccc(cc3)F)n c(c4)CC |
7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine |
| 44078 | V0E ZINC000014093050 |
1 | C19 H16 Cl N3 O3 | InChI=1S/C19H16ClN3O3/c20 -14-3-6-18-17(9-14)19(25) 23(12-22-18)10-15(24)11-2 6-16-4-1-13(2-5-16)7-8-21 /h1-6,9,12,15,24H,7,10-11 H2/t15-/m0/s1; GABJHGXONDUXIN-HNNXBMFYSA-N |
O[CH](COc1ccc(CC#N)cc1)CN2C=Nc3ccc(Cl)cc 3C2=O; c1cc(ccc1CC#N)OCC(CN2C=Nc3ccc(cc3 C2=O)Cl)O; O[C@H](COc1ccc(CC#N)cc1)CN2C= Nc3ccc(Cl)cc3C2=O; c1cc(ccc1CC#N)OC[C@H] (CN2C=Nc3ccc(cc3C2=O)Cl)O |
2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile; 2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile |
| 44079 | V0F | 2 | C18 H23 N O4 | InChI=1S/C18H23NO4/c1-12- 6-5-9-14(20)8-4-2-3-7-13- 10-15(21)11-16(22)17(13)1 8(23)19-12/h3,7,10-12,21- 22H,2,4-6,8-9H2,1H3,(H,19 ,23)/b7-3+/t12-/m0/s1; MPCXTULDOJSSIB-QBODLPLBSA-N |
C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(= O)N1; CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)N1 )O)O; C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2 C(=O)N1; C[C@H]1CCCC(=O)CCCC=Cc2cc(cc(c2 C(=O)N1)O)O |
(4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione |
| 44080 | V0G CHEMBL4303279 ZINC000521836464 |
3 | C31 H30 Cl N7 O2 | InChI=1S/C31H30ClN7O2/c1- 39(2)16-6-11-28(40)35-21- 14-12-20(13-15-21)30(41)3 6-22-7-5-8-23(17-22)37-31 -34-19-26(32)29(38-31)25- 18-33-27-10-4-3-9-24(25)2 7/h3-5,7-10,12-15,17-19,3 3H,6,11,16H2,1-2H3,(H,35, 40)(H,36,41)(H,34,37,38); TUERFPPIPKZNKE-UHFFFAOYSA-N |
c1c(ccc(c1)NC(=O)CCCN(C)C)C(=O)Nc2cccc(c 2)Nc3nc(c(Cl)cn3)c4c5c(nc4)cccc5; CN(C)C CCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc (c(n3)c4c[nH]c5c4cccc5)Cl; CN(C)CCCC(=O) Nc1ccc(cc1)C(=O)Nc2cccc(Nc3ncc(Cl)c(n3)c 4c[nH]c5ccccc45)c2 |
N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide |
| 44081 | V0H | 1 | C19 H16 Cl N3 O4 | InChI=1S/C19H16ClN3O4/c20 -13-1-6-18-17(9-13)19(25) 23(12-22-18)10-14(24)11-2 7-16-4-2-15(3-5-16)26-8-7 -21/h1-6,9,12,14,24H,8,10 -11H2/t14-/m0/s1; UUOYDPMSIUVIEL-AWEZNQCLSA-N |
c1cc(ccc1OCC#N)OC[C@H](CN2C=Nc3ccc(cc3C2 =O)Cl)O; O[CH](COc1ccc(OCC#N)cc1)CN2C=Nc 3ccc(Cl)cc3C2=O; O[C@H](COc1ccc(OCC#N)cc 1)CN2C=Nc3ccc(Cl)cc3C2=O; c1cc(ccc1OCC#N )OCC(CN2C=Nc3ccc(cc3C2=O)Cl)O |
2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile; 2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile |
| 44082 | V0I | 0 | C26 H35 N13 O8 S | InChI=1S/C26H35N13O8S/c1- 36(2)48(44,45)34-7-12-17( 40)20(43)26(46-12)39-14(3 5-16-22(28)30-10-32-24(16 )39)5-4-6-37(3)8-13-18(41 )19(42)25(47-13)38-11-33- 15-21(27)29-9-31-23(15)38 /h9-13,17-20,25-26,34,40- 43H,6-8H2,1-3H3,(H2,27,29 ,31)(H2,28,30,32)/t12-,13 +,17-,18-,19-,20-,25+,26+ /m1/s1; LGNKFLUWHXMZRD-YPYLWAKUSA-N |
CN(C)S(=O)(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc 3N)C#CCN(C)CC4C(C(C(O4)n5cnc6c5ncnc6N)O) O)O)O; CN(C)S(=O)(=O)NC[C@@H]1[C@H]([C@H ]([C@@H](O1)n2c(nc3c2ncnc3N)C#CCN(C)C[C@ @H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N )O)O)O)O; CN(C)[S](=O)(=O)NC[CH]1O[CH]([ CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C)C [CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc5 6; CN(C)[S](=O)(=O)NC[C@H]1O[C@H]([C@H]( O)[C@@H]1O)n2c(nc3c(N)ncnc23)C#CCN(C)C[C @H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)nc nc56 |
8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(dimethylsulfamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purine |
| 44083 | V0J | 1 | C39 H41 N7 O4 | InChI=1S/C39H41N7O4/c1-3- 4-23-44(26-28-19-21-29(22 -20-28)32-17-11-12-18-33( 32)35-40-42-43-41-35)38(5 0)45-24-25-46(34(27-45)36 (47)48)37(49)39(2,30-13-7 -5-8-14-30)31-15-9-6-10-1 6-31/h5-22,34H,3-4,23-27H 2,1-2H3,(H,47,48)(H,40,41 ,42,43)/t34-/m1/s1; CKFCJCLSPLLPGD-UUWRZZSWSA-N |
CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O )N4CCN([C@H](C4)C(=O)O)C(=O)C(C)(c5ccccc 5)c6ccccc6; CCCCN(Cc1ccc(cc1)c2ccccc2c3[ nH]nnn3)C(=O)N4CCN([C@H](C4)C(O)=O)C(=O) C(C)(c5ccccc5)c6ccccc6; CCCCN(Cc1ccc(cc1 )c2ccccc2c3[nH]nnn3)C(=O)N4CCN(C(C4)C(=O )O)C(=O)C(C)(c5ccccc5)c6ccccc6; CCCCN(Cc 1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN([ CH](C4)C(O)=O)C(=O)C(C)(c5ccccc5)c6ccccc 6; C(C(N1C(C(=O)O)CN(CC1)C(N(Cc2ccc(cc2) c4c(c3nnnn3)cccc4)CCCC)=O)=O)(c5ccccc5)( c6ccccc6)C |
(2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid |
| 44084 | V0K | 1 | C34 H26 F2 N6 O4 | InChI=1S/C34H26F2N6O4/c1- 19-7-10-24(34(46)42(19)17 -20-8-11-27(35)28(36)13-2 0)31(43)41-30(21-5-3-2-4- 6-21)33(45)39-22-9-12-29- 25(14-22)26(32(44)40-29)1 5-23-16-37-18-38-23/h2-16 ,18,30H,17H2,1H3,(H,37,38 )(H,39,45)(H,40,44)(H,41, 43)/b26-15+/t30-/m1/s1; KHPDVVDNRUBARQ-WOZRVJTFSA-N |
CC1=CC=C(C(=O)N1Cc2ccc(c(c2)F)F)C(=O)N[C @H](c3ccccc3)C(=O)Nc4ccc5c(c4)/C(=C\c6cn c[nH]6)/C(=O)N5; CC1=CC=C(C(=O)N[C@@H](C (=O)Nc2ccc3NC(=O)/C(=C/c4[nH]cnc4)c3c2)c 5ccccc5)C(=O)N1Cc6ccc(F)c(F)c6; CC1=CC=C (C(=O)N1Cc2ccc(c(c2)F)F)C(=O)NC(c3ccccc3 )C(=O)Nc4ccc5c(c4)C(=Cc6cnc[nH]6)C(=O)N5 ; CC1=CC=C(C(=O)N[CH](C(=O)Nc2ccc3NC(=O) C(=Cc4[nH]cnc4)c3c2)c5ccccc5)C(=O)N1Cc6c cc(F)c(F)c6 |
1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide |
| 44085 | V0L CHEMBL3334567 DB12048 ZINC000149738712 |
5 | C17 H15 N9 | InChI=1S/C17H15N9/c1-11(1 2-3-4-15-18-5-6-25(15)10- 12)26-17-16(22-23-26)19-8 -14(21-17)13-7-20-24(2)9- 13/h3-11H,1-2H3/t11-/m0/s 1; XYDNMOZJKOGZLS-NSHDSACASA-N |
C[CH](n1nnc2ncc(nc12)c3cnn(C)c3)c4ccc5nc cn5c4; CC(c1ccc2nccn2c1)n3c4c(ncc(n4)c5c nn(c5)C)nn3; C[C@@H](c1ccc2nccn2c1)n3c4c (ncc(n4)c5cnn(c5)C)nn3; C[C@H](n1nnc2ncc (nc12)c3cnn(C)c3)c4ccc5nccn5c4 |
volitinib |
| 44086 | V0M | 1 | C24 H20 Cl2 N2 O3 | InChI=1S/C24H20Cl2N2O3/c2 5-18-9-5-10-19(26)22(18)2 7-20-11-4-3-6-15(20)12-21 (29)28-24(23(30)31)13-16- 7-1-2-8-17(16)14-24/h1-11 ,27H,12-14H2,(H,28,29)(H, 30,31); ZBVLZAHLDOOBNG-UHFFFAOYSA-N |
c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3 Nc4c(cccc4Cl)Cl; C4(NC(=O)Cc2c(Nc1c(cccc 1Cl)Cl)cccc2)(Cc3ccccc3C4)C(=O)O; OC(=O) C1(Cc2ccccc2C1)NC(=O)Cc3ccccc3Nc4c(Cl)cc cc4Cl |
2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
| 44087 | V0N ZINC000263620578 |
2 | C17 H25 F N2 O4 | InChI=1S/C17H25FN2O4/c1-1 9-15(22)9-13-16(23)17(24) 14(10-21)20(13)8-2-3-11-4 -6-12(18)7-5-11/h4-7,13-1 4,16-17,21,23-24H,2-3,8-1 0H2,1H3,(H,19,22)/t13-,14 -,16+,17-/m1/s1; IVSNKOONVYNOFH-TXCZRRACSA-N |
CNC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO )N1CCCc2ccc(F)cc2; CNC(=O)CC1C(C(C(N1CCC c2ccc(cc2)F)CO)O)O; CNC(=O)C[C@@H]1[C@@H ]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O; CNC(=O)C[CH]1[CH](O)[CH](O)[CH](CO)N1CCC c2ccc(F)cc2 |
2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide |
| 44088 | V0O ZINC000034447493 |
1 | C9 H12 N2 O2 S | InChI=1S/C9H12N2O2S/c1-2- 13-8(12)7-5-14-9(11-7)10- 6-3-4-6/h5-6H,2-4H2,1H3,( H,10,11); WRPOUBFNFBYEOF-UHFFFAOYSA-N |
O=C(OCC)c1csc(NC2CC2)n1; CCOC(=O)c1csc(N C2CC2)n1; CCOC(=O)c1csc(n1)NC2CC2 |
ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate |
| 44089 | V0P | 3 | C24 H25 N5 O2 | InChI=1S/C24H25N5O2/c25-2 3-6-1-3-19(28-23)15-27-11 -12-30-20-4-2-5-21(14-20) 31-16-17-7-8-18-9-10-24(2 6)29-22(18)13-17/h1-10,13 -14,27H,11-12,15-16H2,(H2 ,25,28)(H2,26,29); ORKMBBJESKKJPF-UHFFFAOYSA-N |
c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cc cc(n4)N; c1(nc(ccc1)CNCCOc2cc(ccc2)OCc3c c4c(cc3)ccc(N)n4)N; Nc1cccc(CNCCOc2cccc( OCc3ccc4ccc(N)nc4c3)c2)n1 |
7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine |
| 44090 | V0Q | 1 | C13 H20 N2 O3 S | InChI=1S/C13H20N2O3S/c1-2 -14-7-9-15(10-8-14)19(17, 18)13-5-3-12(11-16)4-6-13 /h3-6,16H,2,7-11H2,1H3; STTZDXPCBNCOSK-UHFFFAOYSA-N |
CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2; CCN 1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO |
[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol |
| 44091 | V0R | 1 | C17 H16 N2 O3 | InChI=1S/C17H16N2O3/c1-10 -16(11(2)22-19-10)13-6-14 (8-15(20)7-13)17(21)12-4- 3-5-18-9-12/h3-9,17,20-21 H,1-2H3/t17-/m1/s1; RFDVEAHRRMEOHK-QGZVFWFLSA-N |
Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3cccnc 3)O; Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3cc cnc3; Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3cccn c3)O; Cc1onc(C)c1c2cc(O)cc(c2)[C@H](O)c3 cccnc3 |
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol |
| 44092 | V0S CHEMBL1221983 ZINC000101549216 |
3 | C28 H28 Cl N3 O S | InChI=1S/C28H28ClN3OS/c1- 30-22-9-11-23(12-10-22)32 (28(33)27-26(29)24-7-2-3- 8-25(24)34-27)18-19-5-4-6 -21(17-19)20-13-15-31-16- 14-20/h2-8,13-17,22-23,30 H,9-12,18H2,1H3/t22-,23-; VFSUUTYAEQOIMW-YHBQERECSA-N |
CN[CH]1CC[CH](CC1)N(Cc2cccc(c2)c3ccncc3) C(=O)c4sc5ccccc5c4Cl; CNC1CCC(CC1)N(Cc2c ccc(c2)c3ccncc3)C(=O)c4c(c5ccccc5s4)Cl; CN[C@H]1CC[C@@H](CC1)N(Cc2cccc(c2)c3ccnc c3)C(=O)c4sc5ccccc5c4Cl; C5(CCC(N(C(c2c( c1c(cccc1)s2)Cl)=O)Cc3cccc(c3)c4ccncc4)C C5)NC |
3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide |
| 44093 | V0T | 1 | C12 H17 N O4 S | InChI=1S/C12H17NO4S/c14-9 -10-1-3-12(4-2-10)18(16,1 7)13-7-5-11(15)6-8-13/h1- 4,11,14-15H,5-9H2; AXVJFUKVQJSRAS-UHFFFAOYSA-N |
OCc1ccc(cc1)[S](=O)(=O)N2CCC(O)CC2; c1cc (ccc1CO)S(=O)(=O)N2CCC(CC2)O |
1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol |
| 44094 | V0U CHEMBL5411709 |
4 | C26 H29 N3 O3 | InChI=1S/C26H29N3O3/c1-15 (2)11-22-24-19(18-10-9-17 (32-3)13-20(18)27-24)14-2 3-25(30)28-21(26(31)29(22 )23)12-16-7-5-4-6-8-16/h4 -10,13,15,21-23,27H,11-12 ,14H2,1-3H3,(H,28,30); MPOWCEOMANJKJZ-UHFFFAOYSA-N |
COc1ccc2c([nH]c3[CH](CC(C)C)N4[CH](Cc23) C(=O)N[CH](Cc5ccccc5)C4=O)c1; COc1ccc2c( [nH]c3[C@H](CC(C)C)N4[C@@H](Cc23)C(=O)N[ C@@H](Cc5ccccc5)C4=O)c1; CC(C)CC1c2c(c3c cc(cc3[nH]2)OC)CC4N1C(=O)C(NC4=O)Cc5cccc c5; CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC)C[ C@@H]4N1C(=O)[C@@H](NC4=O)Cc5ccccc5 |
(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
| 44095 | V0V | 1 | C25 H40 N7 O19 P3 S | InChI=1S/C25H40N7O19P3S/c 1-12(23(37)38)24(39)55-7- 6-27-14(33)4-5-28-21(36)1 8(35)25(2,3)9-48-54(45,46 )51-53(43,44)47-8-13-17(5 0-52(40,41)42)16(34)22(49 -13)32-11-31-15-19(26)29- 10-30-20(15)32/h10-11,13, 16-18,22,34-35,39H,4-9H2, 1-3H3,(H,27,33)(H,28,36)( H,37,38)(H,43,44)(H,45,46 )(H2,26,29,30)(H2,40,41,4 2)/b24-12+/t13-,16-,17-,1 8+,22-/m1/s1; RERUYCLVCZLHGP-JXZMNPEQSA-N |
C\C(C(O)=O)=C(O)/SCCNC(=O)CCNC(=O)[C@H]( O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1 O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc 3c(N)ncnc23; CC(C(O)=O)=C(O)SCCNC(=O)CCN C(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(= O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O) n2cnc3c(N)ncnc23; CC(=C(O)SCCNC(=O)CCNC( =O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O ; C/C(=C(/O)\SCCNC(=O)CCNC(=O)[C@@H](C(C )(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C @H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O) O)O)/C(=O)O; c3n(C1OC(C(C1O)OP(O)(O)=O)C OP(O)(=O)OP(O)(OCC(C)(C)C(O)C(=O)NCCC(=O )NCCS/C(O)=C(/C(O)=O)C)=O)c2ncnc(c2n3)N |
(3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name) |
| 44096 | V0W CHEMBL1626299 ZINC000003236292 |
1 | C13 H20 N2 O2 S | InChI=1S/C13H20N2O2S/c1-1 2-4-6-13(7-5-12)18(16,17) 15-9-3-8-14(2)10-11-15/h4 -7H,3,8-11H2,1-2H3; XUCATVRSDLBKNC-UHFFFAOYSA-N |
Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C; CN1CCC N(CC1)[S](=O)(=O)c2ccc(C)cc2 |
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane |
| 44097 | V0X ZINC000008699618 |
1 | C8 H9 N O | InChI=1S/C8H9NO/c9-7-5-10 -8-4-2-1-3-6(7)8/h1-4,7H, 5,9H2/t7-/m0/s1; PLCGAGSBVAGXMP-ZETCQYMHSA-N |
c1ccc2c(c1)[C@H](CO2)N; N[C@H]1COc2ccccc 12; N[CH]1COc2ccccc12; c1ccc2c(c1)C(CO2) N; NC1COc2ccccc21 |
(3R)-2,3-dihydro-1-benzofuran-3-amine |
| 44098 | V0Y CHEMBL4651180 DB21497 |
1 | C24 H23 F2 N5 O2 | InChI=1S/C24H23F2N5O2/c1- 30-23(32)21(14-5-6-20(33- 2)19(26)11-14)22(15-3-4-1 6(13-27)18(25)12-15)29-24 (30)31-9-7-17(28)8-10-31/ h3-6,11-12,17H,7-10,28H2, 1-2H3; NBAIXBAUHIQQGF-UHFFFAOYSA-N |
CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3) F)C#N)c4ccc(c(c4)F)OC; COc1ccc(cc1F)C2=C (N=C(N(C)C2=O)N3CCC(N)CC3)c4ccc(C#N)c(F) c4; N#Cc1c(cc(cc1)C=3N=C(N2CCC(N)CC2)N(C (C=3c4cc(F)c(OC)cc4)=O)C)F |
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile |
| 44099 | V0Z | 1 | C14 H13 N5 O2 | InChI=1S/C14H13N5O2/c1-8- 11(7-16-12-6-13(20)18-19( 8)12)14(21)17-10-4-2-9(15 )3-5-10/h2-7H,15H2,1H3,(H ,17,21)(H,18,20); DTFXMPJTNSKHJT-UHFFFAOYSA-N |
CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(N)cc3 ; CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(cc3 )N |
N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide; ~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide; N-(4-aminophenyl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
| 44100 | V10 ZINC000058649709 |
1 | C13 H22 N2 O7 S2 | InChI=1S/C13H22N2O7S2/c1- 24-6-9(12(19)20)22-13(21) 8(5-23)15-10(16)4-2-3-7(1 4)11(17)18/h7-9,23H,2-6,1 4H2,1H3,(H,15,16)(H,17,18 )(H,19,20)/t7-,8-,9-/m0/s 1; ZBJXRZZOCYDPEK-CIUDSAMLSA-N |
CSCC(C(=O)O)OC(=O)C(CS)NC(=O)CCCC(C(=O)O )N; CSC[C@H](OC(=O)[C@H](CS)NC(=O)CCC[C@ H](N)C(O)=O)C(O)=O; O=C(O)C(OC(=O)C(NC(= O)CCCC(C(=O)O)N)CS)CSC; CSC[C@@H](C(=O)O )OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N ; CSC[CH](OC(=O)[CH](CS)NC(=O)CCC[CH](N) C(O)=O)C(O)=O |
N^6^-[(1R)-2-[(1R)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
| 44101 | V11 CHEMBL1947058 ZINC000101644909 |
8 | C22 H25 N O3 | InChI=1S/C22H25NO3/c24-21 (16-7-3-1-4-8-16)15-23-18 -11-12-19(23)14-20(13-18) 26-22(25)17-9-5-2-6-10-17 /h1-10,18-21,24H,11-15H2/ t18-,19+,20+,21-/m0/s1; CAELFFAMXVUOKR-BQJUDKOJSA-N |
c1ccc(cc1)[C@H](CN2[C@H]3CC[C@@H]2CC(C3) OC(=O)c4ccccc4)O; O[C@@H](CN1[C@H]2CC[C@ @H]1CC(C2)OC(=O)c3ccccc3)c4ccccc4; O[CH] (CN1[CH]2CC[CH]1CC(C2)OC(=O)c3ccccc3)c4c cccc4; c1ccc(cc1)C(CN2C3CCC2CC(C3)OC(=O) c4ccccc4)O |
[(1S,5R)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE |
| 44102 | V12 ZINC000016052575 |
2 | C18 H20 N6 O5 | InChI=1S/C18H20N6O5/c19-1 2-5-6-24(18(28)23-12)17-1 6(27)15(26)11(29-17)8-20- 14(25)7-13-21-9-3-1-2-4-1 0(9)22-13/h1-6,11,15-17,2 6-27H,7-8H2,(H,20,25)(H,2 1,22)(H2,19,23,28)/t11-,1 5-,16-,17-/m1/s1; MMCWRTZSCVUETH-GAEVZRCVSA-N |
c1ccc2c(c1)[nH]c(n2)CC(=O)NCC3C(C(C(O3)N 4C=CC(=NC4=O)N)O)O; c1ccc2c(c1)[nH]c(n2) CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C =CC(=NC4=O)N)O)O; O=C1N=C(N)C=CN1C2OC(C( O)C2O)CNC(=O)Cc3nc4ccccc4n3; NC1=NC(=O)N (C=C1)[CH]2O[CH](CNC(=O)Cc3[nH]c4ccccc4n 3)[CH](O)[CH]2O; NC1=NC(=O)N(C=C1)[C@@H] 2O[C@H](CNC(=O)Cc3[nH]c4ccccc4n3)[C@@H]( O)[C@H]2O |
5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE |
| 44103 | V13 CHEMBL2333417 ZINC000095586323 |
9 | C8 H7 F4 N O5 S2 | InChI=1S/C8H7F4NO5S2/c9-3 -5(11)8(20(13,17)18)6(12) 4(10)7(3)19(15,16)2-1-14/ h14H,1-2H2,(H2,13,17,18); WZGGLNWNBUCLIP-UHFFFAOYSA-N |
N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)( =O)CCO; Fc1c(F)c(c(F)c(F)c1S(=O)(=O)N)S( =O)(=O)CCO; C(CS(=O)(=O)c1c(c(c(c(c1F)F) S(=O)(=O)N)F)F)O |
2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide |
| 44104 | V14 CHEMBL3359181 ZINC000208946432 |
18 | C16 H23 F3 N2 O5 S2 | InChI=1S/C16H23F3N2O5S2/c 17-11-12(18)16(27(23,24)9 -8-22)14(13(19)15(11)28(2 0,25)26)21-10-6-4-2-1-3-5 -7-10/h10,21-22H,1-9H2,(H 2,20,25,26); HFJJAVOBUVMVFQ-UHFFFAOYSA-N |
C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F) F)S(=O)(=O)N)F; N[S](=O)(=O)c1c(F)c(F)c( c(NC2CCCCCCC2)c1F)[S](=O)(=O)CCO; O=S(=O )(N)c2c(F)c(NC1CCCCCCC1)c(c(F)c2F)S(=O)( =O)CCO |
3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide |
| 44105 | V15 CHEMBL235821 |
1 | C12 H13 N3 O | InChI=1S/C12H13N3O/c13-12 -14-10(8-11(16)15-12)7-6- 9-4-2-1-3-5-9/h1-5,8H,6-7 H2,(H3,13,14,15,16); CNBSPUGFNQVSJS-UHFFFAOYSA-N |
O=C1C=C(N=C(N)N1)CCc2ccccc2; c1ccc(cc1)C CC2=CC(=O)NC(=N2)N; NC1=NC(=CC(=O)N1)CCc 2ccccc2 |
2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE |
| 44106 | V16 CHEMBL267865 ZINC000038337299 |
1 | C12 H18 N2 O | InChI=1S/C12H18N2O/c1-3-4 -5-11-6-7-12(10(2)8-11)13 -9-14-15/h6-9,15H,3-5H2,1 -2H3,(H,13,14); LYNOGBKNFIHKLE-UHFFFAOYSA-N |
CCCCc1ccc(c(c1)C)N/C=N\O; CCCCc1ccc(NC=N O)c(C)c1; N(c1ccc(cc1C)CCCC)[C@H]=NO; CC CCc1ccc(c(c1)C)NC=NO; CCCCc1ccc(N\C=N/O) c(C)c1 |
N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide |
| 44107 | V17 CHEMBL200027 ZINC000013831229 |
4 | C28 H29 N5 O S | InChI=1S/C28H29N5OS/c34-2 7(33-17-12-23(13-18-33)32 -15-3-4-16-32)20-7-9-22(1 0-8-20)30-28-29-14-11-24( 31-28)26-19-21-5-1-2-6-25 (21)35-26/h1-2,5-11,14,19 ,23H,3-4,12-13,15-18H2,(H ,29,30,31); BWZJBXAPRCVCKQ-UHFFFAOYSA-N |
c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C( =O)N5CCC(CC5)N6CCCC6; O=C(N1CCC(CC1)N2CC CC2)c3ccc(Nc4nccc(n4)c5sc6ccccc6c5)cc3; C1(CCN(CC1)C(c2ccc(cc2)Nc3nccc(n3)c4cc5c (s4)cccc5)=O)N6CCCC6 |
(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone |
| 44108 | V18 | 1 | C19 H19 N3 O2 | InChI=1S/C19H19N3O2/c23-1 7-19(8-14(9-19)12-5-3-6-1 2)21-18(24)22(17)16-11-20 -10-13-4-1-2-7-15(13)16/h 1-2,4,7,10-12,14H,3,5-6,8 -9H2,(H,21,24)/t14-,19-; YKGOQXICHYEMJW-QUWSVYMGSA-N |
c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)N C3=O; O=C1N[C]2(C[CH](C2)C3CCC3)C(=O)N1c 4cncc5ccccc45; O=C1N[C@@]2(C[C@H](C2)C3C CC3)C(=O)N1c4cncc5ccccc45 |
2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione |
| 44109 | V19 CHEMBL5589709 |
4 | C21 H19 Br N2 O5 | InChI=1S/C21H19BrN2O5/c22 -14-7-5-13(6-8-14)19-15-3 -1-2-4-16(15)21(27)24(23- 19)12-29-17-9-10-28-18(11 -25)20(17)26/h1-10,17-18, 20,25-26H,11-12H2/t17-,18 -,20-/m1/s1; NMCPEIVYVRUQEU-QWFCFKBJSA-N |
OC[CH]1OC=C[CH](OCN2N=C(c3ccc(Br)cc3)c4c cccc4C2=O)[CH]1O; c1ccc2c(c1)C(=NN(C2=O) CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)c4ccc(cc 4)Br; c1ccc2c(c1)C(=NN(C2=O)COC3C=COC(C3 O)CO)c4ccc(cc4)Br; OC[C@H]1OC=C[C@@H](OC N2N=C(c3ccc(Br)cc3)c4ccccc4C2=O)[C@H]1O |
4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one |
| 44110 | V1A | 6 | C8 H15 N2 O3 S2 | InChI=1S/C8H16N2O3S2/c1-7 (2)6(14-15(5,12)13)9-8(3, 4)10(7)11/h11H,1-5H3; GGUBULNJTWFONN-UHFFFAOYSA-N |
CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C; CC1( C)N=C(S[S](C)(=O)=O)C(C)(C)N1[O]; ON1C(C (SS(=O)(=O)C)=NC1(C)C)(C)C |
S-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate |
| 44111 | V1B | 1 | C21 H17 N3 O2 | InChI=1S/C21H17N3O2/c25-1 9-21(10-16(11-21)14-6-2-1 -3-7-14)23-20(26)24(19)18 -13-22-12-15-8-4-5-9-17(1 5)18/h1-9,12-13,16H,10-11 H2,(H,23,26)/t16-,21+; BWBPGOKJGLWQEA-NBEIKUQISA-N |
c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc 5c4cccc5; O=C1N[C@]2(C[C@H](C2)c3ccccc3) C(=O)N1c4cncc5ccccc45; O=C1N[C]2(C[CH](C 2)c3ccccc3)C(=O)N1c4cncc5ccccc45 |
7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione |
| 44112 | V1C | 0 | C16 H21 N3 O2 | InChI=1S/C16H21N3O2/c1-11 (2)9-19-10-14(8-18-19)13- 5-3-12(4-6-13)7-15(17)16( 20)21/h3-6,8,10-11,15H,7, 9,17H2,1-2H3,(H,20,21)/t1 5-/m0/s1; DJUGBYILAINPAZ-HNNXBMFYSA-N |
CC(C)Cn1cc(cn1)c2ccc(cc2)C[C@@H](C(=O)O) N; CC(C)Cn1cc(cn1)c2ccc(cc2)CC(C(=O)O)N; CC(C)Cn1cc(cn1)c2ccc(C[C@H](N)C(O)=O)cc 2; CC(C)Cn1cc(cn1)c2ccc(C[CH](N)C(O)=O)c c2 |
(2S)-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid |
| 44113 | V1D | 3 | C24 H30 F N5 O4 | InChI=1S/C24H30FN5O4/c1-3 0-14-16(15-30)23(31)28-19 (9-3-2-6-11-24(32,33)21-1 0-12-34-29-21)22-26-13-20 (27-22)17-7-4-5-8-18(17)2 5/h4-5,7-8,10,12-13,16,19 ,32-33H,2-3,6,9,11,14-15H 2,1H3,(H,26,27)(H,28,31)/ t19-/m0/s1; KTQGXHKWGKIKPU-IBGZPJMESA-N |
CN1CC(C1)C(=O)N[CH](CCCCCC(O)(O)c2ccon2) c3[nH]cc(n3)c4ccccc4F; CN1CC(C1)C(=O)N[C @@H](CCCCCC(O)(O)c2ccon2)c3[nH]cc(n3)c4c cccc4F; CN1CC(C1)C(=O)NC(CCCCCC(c2ccon2) (O)O)c3[nH]cc(n3)c4ccccc4F; CN1CC(C1)C(= O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n 3)c4ccccc4F; Fc1ccccc1c2cnc(n2)C(NC(C3CN (C)C3)=O)CCCCCC(c4ccon4)(O)O |
N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide |
| 44114 | V1E ZINC000004301114 |
1 | C9 H13 N O2 S | InChI=1S/C9H13NO2S/c1-8-4 -6-9(7-5-8)13(11,12)10(2) 3/h4-7H,1-3H3; WZKOKGOAHBIPCI-UHFFFAOYSA-N |
CN(C)[S](=O)(=O)c1ccc(C)cc1; Cc1ccc(cc1) S(=O)(=O)N(C)C |
~{N},~{N},4-trimethylbenzenesulfonamide |
| 44115 | V1F ZINC000209031236 |
7 | C21 H19 F3 N2 O4 S2 | InChI=1S/C21H19F3N2O4S2/c 22-16-17(23)21(31(27,28)1 2-11-14-7-3-1-4-8-14)19(1 8(24)20(16)32(25,29)30)26 -13-15-9-5-2-6-10-15/h1-1 0,26H,11-13H2,(H2,25,29,3 0); IMGFYVAVEMQCNT-UHFFFAOYSA-N |
c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(= O)(=O)N)F)NCc3ccccc3; N[S](=O)(=O)c1c(F) c(F)c(c(NCc2ccccc2)c1F)[S](=O)(=O)CCc3cc ccc3; O=S(=O)(c2c(F)c(F)c(c(F)c2NCc1cccc c1)S(=O)(=O)N)CCc3ccccc3 |
3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide |
| 44116 | V1G CHEMBL4634904 |
1 | C28 H27 F2 N5 O4 | InChI=1S/C28H27F2N5O4/c1- 28(2,3)16-7-14-11-32-35(2 7(39)23(14)21(30)9-16)24- 19(13-36)17(5-6-31-24)15- 8-22(26(38)34(4)12-15)33- 25(37)18-10-20(18)29/h5-9 ,11-12,18,20,36H,10,13H2, 1-4H3,(H,33,37)/t18-,20+/ m1/s1; SEGFWFQHVPYNMS-QUCCMNQESA-N |
CN1C=C(C=C(NC(=O)[CH]2C[CH]2F)C1=O)c3ccn c(N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)c3CO; C C(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(c cn3)C4=CN(C(=O)C(=C4)NC(=O)C5CC5F)C)CO; CN1C=C(C=C(NC(=O)[C@@H]2C[C@@H]2F)C1=O)c 3ccnc(N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)c3C O; CC(c4cc(F)c5C(=O)N(c3c(c(C=2C=C(NC(=O )C1C(C1)F)C(=O)N(C=2)C)ccn3)CO)N=Cc5c4)( C)C; CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c 3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5 C[C@@H]5F)C)CO |
(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide |
| 44117 | V1H | 1 | C11 H15 N O3 S | InChI=1S/C11H15NO3S/c1-9- 3-5-11(6-4-9)16(13,14)12- 7-10(8-12)15-2/h3-6,10H,7 -8H2,1-2H3; FVWRQPKSKSFJCP-UHFFFAOYSA-N |
COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2; Cc1ccc (cc1)S(=O)(=O)N2CC(C2)OC |
3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine |
| 44118 | V1I ZINC000095458689 |
1 | C10 H16 N2 O | InChI=1S/C10H16N2O/c1-2-7 -12(9-5-6-9)10(13)11-8-3- 4-8/h2,8-9H,1,3-7H2,(H,11 ,13); YEPCUYUBKYDNRR-UHFFFAOYSA-N |
C=CCN(C1CC1)C(=O)NC2CC2; O=C(NC1CC1)N(CC =C)C1CC1 |
N,N'-dicyclopropyl-N-(prop-2-en-1-yl)urea |
| 44119 | V1J | 0 | C33 H68 O17 | InChI=1S/C33H68O17/c34-2- 1-4-36-6-8-38-10-12-40-14 -16-42-18-20-44-22-24-46- 26-28-48-30-32-50-33-31-4 9-29-27-47-25-23-45-21-19 -43-17-15-41-13-11-39-9-7 -37-5-3-35/h34-35H,1-33H2; UQGCHKWTTDVZHM-UHFFFAOYSA-N |
C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC COCCOCCOCCCO; C(CO)COCCOCCOCCOCCOCCOCCOC COCCOCCOCCOCCOCCOCCOCCOCCO; OCCCOCCOCCOC COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol |
| 44120 | V1K | 1 | C15 H13 Cl N2 O3 S | InChI=1S/C15H13ClN2O3S/c1 -10-3-6-12(7-4-10)22(19,2 0)18-14-9-11(21-2)5-8-13( 14)17-15(18)16/h3-9H,1-2H 3; WYUZKMIXXDZEOS-UHFFFAOYSA-N |
COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C) cc3; Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2C l)OC |
2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole |
| 44121 | V1L CHEMBL12193 ZINC000003860817 |
5 | C5 H9 N O | InChI=1S/C5H9NO/c7-5-3-1- 2-4-6-5/h1-4H2,(H,6,7); XUWHAWMETYGRKB-UHFFFAOYSA-N |
C1CCNC(=O)C1; O=C1CCCCN1 | piperidin-2-one; valerolactam |
| 44122 | V1M | 4 | C16 H17 N O4 | InChI=1S/C16H17NO4/c1-11- 8-13(19-2)5-7-15(11)21-10 -12-4-6-14(17-9-12)16(18) 20-3/h4-9H,10H2,1-3H3; UCQHQVIAEYFBHN-UHFFFAOYSA-N |
Cc1cc(OC)ccc1OCc2ccc(nc2)C(=O)OC; COC(=O )c1ccc(COc2ccc(OC)cc2C)cn1; Cc1cc(ccc1OC c2ccc(nc2)C(=O)OC)OC |
methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate |
| 44123 | V1N ZINC000098209517 |
2 | C19 H21 N6 O7 P | InChI=1S/C19H21N6O7P/c20- 16-13-17(23-8-22-16)25(9- 24-13)18-14(26)15(27)19(3 1-18)32-33(28,29)30-6-5-1 0-7-21-12-4-2-1-3-11(10)1 2/h1-4,7-9,14-15,18-19,21 ,26-27H,5-6H2,(H,28,29)(H 2,20,22,23)/t14-,15-,18-, 19+/m1/s1; OLRAQXYDQRFQTA-RGCFKVTRSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](O[P](O)(=O)OC Cc4c[nH]c5ccccc45)[CH](O)[CH]3O; Nc1ncnc 2n(cnc12)[C@@H]3O[C@@H](O[P](O)(=O)OCCc4 c[nH]c5ccccc45)[C@H](O)[C@H]3O; c1ccc2c( c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@ H]([C@@H](O3)n4cnc5c4ncnc5N)O)O; O=P(O)( OC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OCCc5c4cc ccc4nc5; c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O) OC3C(C(C(O3)n4cnc5c4ncnc5N)O)O |
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1H-indol-3-yl)ethyl hydrogen phosphate |
| 44124 | V1O | 2 | C17 H19 Br N2 O4 | InChI=1S/C17H19BrN2O4/c1- 22-15-5-4-11(8-14(15)21)1 9-20-12-9-16(23-2)13(6-7- 18)17(10-12)24-3/h4-5,8-1 0,21H,6-7H2,1-3H3; WFYMKGBDLFAINQ-UHFFFAOYSA-N |
COc1ccc(cc1O)N=Nc2cc(c(c(c2)OC)CCBr)OC; COc1ccc(cc1O)N=Nc2cc(OC)c(CCBr)c(OC)c2 |
5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol |
| 44125 | V1P | 6 | C24 H35 N5 O4 | InChI=1S/C24H35N5O4/c1-3- 24(32,33)13-9-5-8-12-18(2 6-23(31)17-14-29(2)15-17) 19-20(21(25)30)28-22(27-1 9)16-10-6-4-7-11-16/h4,6- 7,10-11,17-18,32-33H,3,5, 8-9,12-15H2,1-2H3,(H2,25, 30)(H,26,31)(H,27,28)/t18 -/m0/s1; MYVMGGDKZVVQFO-SFHVURJKSA-N |
CCC(O)(O)CCCCC[C@H](NC(=O)C1CN(C)C1)c2[n H]c(nc2C(N)=O)c3ccccc3; CCC(CCCCC[C@@H]( c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN( C3)C)(O)O; CCC(CCCCCC(c1c(nc([nH]1)c2ccc cc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O; CCC(O)( O)CCCCC[CH](NC(=O)C1CN(C)C1)c2[nH]c(nc2C (N)=O)c3ccccc3; O=C(C1CN(C)C1)NC(CCCCCC( CC)(O)O)c3nc(c2ccccc2)nc3C(N)=O |
5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide |
| 44126 | V1Q ZINC000002780956 |
1 | C11 H13 N3 O2 S | InChI=1S/C11H13N3O2S/c1-9 -3-5-10(6-4-9)17(15,16)13 -11-7-8-14(2)12-11/h3-8H, 1-2H3,(H,12,13); TWGSHKAINVZRCA-UHFFFAOYSA-N |
Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1; Cc1cc c(cc1)S(=O)(=O)Nc2ccn(n2)C |
4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide |
| 44127 | V1S | 3 | C28 H38 F N5 O3 | InChI=1S/C28H38FN5O3/c1-3 -28(36,37)12-6-4-5-7-22(3 2-26(35)21-17-27(21)13-15 -34(2)16-14-27)24-23(18-3 0)31-25(33-24)19-8-10-20( 29)11-9-19/h8-11,21-22,36 -37H,3-7,12-17H2,1-2H3,(H ,31,33)(H,32,35)/t21-,22+ /m1/s1; HQQQLMWKYHVCDC-YADHBBJMSA-N |
N#Cc1c(nc(n1)c2ccc(cc2)F)C(NC(C4C3(CCN(C )CC3)C4)=O)CCCCCC(CC)(O)O; CCC(O)(O)CCCC C[CH](NC(=O)[CH]1CC12CCN(C)CC2)c3nc([nH] c3C#N)c4ccc(F)cc4; CCC(O)(O)CCCCC[C@H](N C(=O)[C@H]1CC12CCN(C)CC2)c3nc([nH]c3C#N) c4ccc(F)cc4; CCC(CCCCCC(c1c([nH]c(n1)c2c cc(cc2)F)C#N)NC(=O)C3CC34CCN(CC4)C)(O)O; CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2) F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O |
(1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
| 44128 | V1T CHEMBL1487662 ZINC000000812404 |
1 | C10 H11 N3 O2 | InChI=1S/C10H11N3O2/c1-12 -7-4-3-6(9(11)14)5-8(7)13 (2)10(12)15/h3-5H,1-2H3,( H2,11,14); BRBLVCVSNVSPMT-UHFFFAOYSA-N |
O=C(c1ccc2c(c1)N(C(=O)N2C)C)N; CN1C(=O)N (C)c2cc(ccc12)C(N)=O; CN1c2ccc(cc2N(C1=O )C)C(=O)N |
1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide |
| 44129 | V1U ZINC000012403760 |
1 | C10 H12 O4 | InChI=1S/C10H12O4/c1-13-6 -7-14-9-5-3-2-4-8(9)10(11 )12/h2-5H,6-7H2,1H3,(H,11 ,12); LRIXKEQGKQFQAO-UHFFFAOYSA-N |
COCCOc1ccccc1C(=O)O; COCCOc1ccccc1C(O)=O ; O=C(O)c1ccccc1OCCOC |
2-(2-methoxyethoxy)benzoic acid |
| 44130 | V1V ZINC000035050455 |
0 | C6 H13 N O3 | InChI=1S/C6H13NO3/c1-2-3- 4(7)5(8)6(9)10/h4-5,8H,2- 3,7H2,1H3,(H,9,10)/t4-,5- /m0/s1; OIFGOYXLBOWNGQ-WHFBIAKZSA-N |
CCC[C@H](N)[C@H](O)C(O)=O; CCCC(N)C(O)C( O)=O; CCC[C@@H]([C@@H](C(=O)O)O)N; CCC[C H](N)[CH](O)C(O)=O; CCCC(C(C(=O)O)O)N |
(2S,3S)-3-amino-2-hydroxyhexanoic acid |
| 44131 | V1W | 1 | C28 H21 N3 O5 | InChI=1S/C28H21N3O5/c32-2 0-9-6-18(7-10-20)16-28(36 -35)27(34)31-24-13-8-19-1 5-21(33)11-12-22(19)25(24 )29-23(26(31)30-28)14-17- 4-2-1-3-5-17/h1-13,15,32- 33,35H,14,16H2/t28-/m0/s1; ZSLLQPODRCGPLM-NDEPHWFRSA-N |
OO[C]1(Cc2ccc(O)cc2)N=C3N(C1=O)c4ccc5cc( O)ccc5c4N=C3Cc6ccccc6; c1ccc(cc1)CC2=Nc3 c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc 6)O)OO)O; OO[C@]1(Cc2ccc(O)cc2)N=C3N(C1= O)c4ccc5cc(O)ccc5c4N=C3Cc6ccccc6; c1ccc( cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=NC(C5=O)(Cc 6ccc(cc6)O)OO)O |
v-coelenterazine |
| 44132 | V1X | 1 | C17 H14 Cl2 F3 N3 O4 | InChI=1S/C17H14Cl2F3N3O4/ c18-8-5-12(19)10(3-4-26)1 3(6-8)24-16(28)25-14-7-9( 29-17(20,21)22)1-2-11(14) 15(23)27/h1-2,5-7,26H,3-4 H2,(H2,23,27)(H2,24,25,28 ); ZBQIFPAPLDHKHL-UHFFFAOYSA-N |
c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2CCO )Cl)Cl)C(=O)N; NC(=O)c1ccc(OC(F)(F)F)cc1 NC(=O)Nc2cc(Cl)cc(Cl)c2CCO |
2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide; 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide |
| 44133 | V1Y CHEMBL3977543 DB17568 |
1 | C23 H16 Cl F N6 O S | InChI=1S/C23H16ClFN6OS/c1 -11-5-6-13-12(7-8-27-22(1 3)30-16-4-2-3-15(24)17(16 )25)18(11)31-23(32)14-9-3 3-20-19(14)28-10-29-21(20 )26/h2-10H,1H3,(H,27,30)( H,31,32)(H2,26,28,29); KVCQTKNUUQOELD-UHFFFAOYSA-N |
c1cc(c(c2c1c(ncc2)Nc3c(c(ccc3)Cl)F)NC(c5 c4c(c(ncn4)N)sc5)=O)C; Cc1ccc2c(Nc3cccc( Cl)c3F)nccc2c1NC(=O)c4csc5c(N)ncnc45; Cc 1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cc cc(c5F)Cl |
4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide; Belvarafenib |
| 44134 | V1Z | 4 | C19 H22 N4 O2 S | InChI=1S/C19H22N4O2S/c1-1 4-5-6-16(17-13-22-9-3-4-1 5(2)19(22)21-17)12-18(14) 26(24,25)23-10-7-20-8-11- 23/h3-6,9,12-13,20H,7-8,1 0-11H2,1-2H3; VEQQFFCWFKIQSW-UHFFFAOYSA-N |
Cc1cccn2c1nc(c2)c3ccc(c(c3)S(=O)(=O)N4CC NCC4)C; Cc1cccn2cc(nc12)c3ccc(C)c(c3)[S] (=O)(=O)N4CCNCC4 |
8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine |
| 44135 | V20 ZINC000058649986 |
1 | C13 H22 N2 O7 S2 | InChI=1S/C13H22N2O7S2/c1- 24-6-9(12(19)20)22-13(21) 8(5-23)15-10(16)4-2-3-7(1 4)11(17)18/h7-9,23H,2-6,1 4H2,1H3,(H,15,16)(H,17,18 )(H,19,20)/t7-,8-,9+/m0/s 1; ZBJXRZZOCYDPEK-XHNCKOQMSA-N |
CSCC(C(=O)O)OC(=O)C(CS)NC(=O)CCCC(C(=O)O )N; CSC[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O )CCC[C@@H](C(=O)O)N; CSC[C@@H](OC(=O)[C@ H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O; O= C(O)C(OC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)CSC ; CSC[CH](OC(=O)[CH](CS)NC(=O)CCC[CH](N) C(O)=O)C(O)=O |
N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE |
| 44136 | V21 CHEMBL395543 ZINC000072187330 |
1 | C9 H8 N4 O2 S3 | InChI=1S/C9H8N4O2S3/c1-16 -9-8-11-6-3-2-5(18(10,14) 15)4-7(6)13(8)12-17-9/h2- 4H,1H3,(H2,10,14,15); RQMLRBLXFGMTFD-UHFFFAOYSA-N |
CSC1=[S]=Nn2c3cc(ccc3nc12)[S](N)(=O)=O; CSC1=S=Nn2c1nc3c2cc(cc3)S(=O)(=O)N |
3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide |
| 44137 | V22 | 1 | C25 H29 N6 O2 | InChI=1S/C25H29N6O2/c32-2 4-12-21(29-23-8-4-5-11-31 (23)24)25(33)27-15-20-17- 30-16-19(9-10-22(30)28-20 )14-26-13-18-6-2-1-3-7-18 /h4-5,8-12,16-18,26H,1-3, 6-7,13-15H2,(H,27,33)(H,2 9,32); SUWOYRGBAIBWQL-UHFFFAOYSA-N |
c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(= O)[N]5=CC=CC=C5N4; O=C(NCc1cn2cc(CNCC3CC CCC3)ccc2n1)C4=CC(=O)[n]5ccccc5N4 |
~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide |
| 44138 | V23 ZINC000100563853 |
1 | C8 H6 F3 N3 O | InChI=1S/C8H6F3N3O/c1-4-2 -5-12-7(8(9,10)11)13-14(5 )6(15)3-4/h2-3H,1H3,(H,12 ,13); DSCVNBORKMEUBZ-UHFFFAOYSA-N |
CC1=CC(=O)N2NC(=NC2=C1)C(F)(F)F; CC1=CC( =O)N2C(=C1)N=C(N2)C(F)(F)F |
7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one |
| 44139 | V24 ZINC000584905706 |
4 | C34 H41 N5 O12 S | InChI=1S/C34H41N5O12S/c1- 19(2)30(34(44)45)39(52(46 ,47)27-14-12-25(13-15-27) 24-10-8-7-9-11-24)17-26-1 6-38(37-36-26)33-29(35-20 (3)40)32(50-23(6)43)31(49 -22(5)42)28(51-33)18-48-2 1(4)41/h7-16,19,28-33H,17 -18H2,1-6H3,(H,35,40)(H,4 4,45)/t28-,29-,30-,31-,32 -,33-/m1/s1; GSNSTVUMMDDHHK-LNEPMPHRSA-N |
CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@ H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O) C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4c cccc4; c1c(cccc1)c2ccc(cc2)S(=O)(N(C(C(O )=O)C(C)C)Cc4cn(C3C(NC(=O)C)C(OC(C)=O)C( OC(=O)C)C(COC(C)=O)O3)nn4)=O; CC(C)[C@@H ](N(Cc1cn(nn1)[C@@H]2O[C@H](COC(C)=O)[C@ @H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O) [S](=O)(=O)c3ccc(cc3)c4ccccc4)C(O)=O; CC (C)C(C(=O)O)N(Cc1cn(nn1)C2C(C(C(C(O2)COC (=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c 3ccc(cc3)c4ccccc4; CC(C)[CH](N(Cc1cn(nn1 )[CH]2O[CH](COC(C)=O)[CH](OC(C)=O)[CH](O C(C)=O)[CH]2NC(C)=O)[S](=O)(=O)c3ccc(cc3 )c4ccccc4)C(O)=O |
N-[([1,1'-biphenyl]-4-yl)sulfonyl]-N-({1-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-D-valine |
| 44140 | V25 CHEMBL1236620 DB08691 ZINC000033295985 |
4 | C15 H13 Cl2 N3 O2 | InChI=1S/C15H13Cl2N3O2/c1 -3-22-15(21)14-11(8(6-18) 7-19)9-4-5-10(16)12(17)13 (9)20(14)2/h4-6H,3,18H2,1 -2H3/b8-6-; CXJCGSPAPOTTSF-VURMDHGXSA-N |
CCOC(=O)c1n(C)c2c(Cl)c(Cl)ccc2c1C(=CN)C# N; CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=C \N)/C#N; CCOC(=O)c1n(C)c2c(Cl)c(Cl)ccc2c 1\C(=C/N)C#N; N#C\C(c2c1ccc(Cl)c(Cl)c1n( c2C(=O)OCC)C)=C\N; CCOC(=O)c1c(c2ccc(c(c 2n1C)Cl)Cl)C(=CN)C#N |
ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate |
| 44141 | V26 CHEMBL3799577 ZINC000209031184 |
1 | C15 H15 F3 N2 O4 S2 | InChI=1S/C15H15F3N2O4S2/c 1-20-13-12(18)14(26(19,23 )24)10(16)11(17)15(13)25( 21,22)8-7-9-5-3-2-4-6-9/h 2-6,20H,7-8H2,1H3,(H2,19, 23,24); WQFYXDRMKJAGFX-UHFFFAOYSA-N |
CNc1c(F)c(c(F)c(F)c1[S](=O)(=O)CCc2ccccc 2)[S](N)(=O)=O; CNc1c(c(c(c(c1S(=O)(=O)C Cc2ccccc2)F)F)S(=O)(=O)N)F |
2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide |
| 44142 | V27 CHEMBL4753361 |
2 | C28 H30 F6 N2 O3 | InChI=1S/C28H30F6N2O3/c1- 18(37)35-14-12-20(13-15-3 5)24(38)36-16-23(25(2,17- 36)21-6-4-3-5-7-21)19-8-1 0-22(11-9-19)26(39,27(29, 30)31)28(32,33)34/h3-11,2 0,23,39H,12-17H2,1-2H3/t2 3-,25+/m0/s1; YXYVNJXYQMACDG-UKILVPOCSA-N |
OC(C(F)(F)F)(c1ccc(cc1)C2C(CN(C2)C(C3CCN (C(=O)C)CC3)=O)(c4ccccc4)C)C(F)(F)F; CC( =O)N1CCC(CC1)C(=O)N2CC(C(C2)(C)c3ccccc3) c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O; CC(=O) N1CCC(CC1)C(=O)N2C[CH](c3ccc(cc3)C(O)(C( F)(F)F)C(F)(F)F)[C](C)(C2)c4ccccc4; CC(= O)N1CCC(CC1)C(=O)N2C[C@@H](c3ccc(cc3)C(O )(C(F)(F)F)C(F)(F)F)[C@](C)(C2)c4ccccc4; CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2) (C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F )F)O |
1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one |
| 44143 | V28 ZINC000584905707 |
5 | C28 H35 N5 O9 S | InChI=1S/C28H35N5O9S/c1-1 6(2)24(28(38)39)33(43(40, 41)21-11-9-19(10-12-21)18 -7-5-4-6-8-18)14-20-13-32 (31-30-20)27-23(29-17(3)3 5)26(37)25(36)22(15-34)42 -27/h4-13,16,22-27,34,36- 37H,14-15H2,1-3H3,(H,29,3 5)(H,38,39)/t22-,23-,24-, 25-,26-,27-/m1/s1; KNBZJXWGCBPDHT-ZRRJEQDASA-N |
CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@ H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C) S(=O)(=O)c3ccc(cc3)c4ccccc4; CC(C)C(C(=O )O)N(Cc1cn(nn1)C2C(C(C(C(O2)CO)O)O)NC(=O )C)S(=O)(=O)c3ccc(cc3)c4ccccc4; CC(C)[CH ](N(Cc1cn(nn1)[CH]2O[CH](CO)[CH](O)[CH]( O)[CH]2NC(C)=O)[S](=O)(=O)c3ccc(cc3)c4cc ccc4)C(O)=O; O=S(=O)(c1ccc(cc1)c2ccccc2) N(C(C(=O)O)C(C)C)Cc3cn(nn3)C4OC(CO)C(O)C (C4NC(C)=O)O; CC(C)[C@@H](N(Cc1cn(nn1)[C @@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC (C)=O)[S](=O)(=O)c3ccc(cc3)c4ccccc4)C(O) =O |
N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine |
| 44144 | V29 ZINC000070992864 |
1 | C12 H15 N O3 | InChI=1S/C12H15NO3/c14-11 (15)12(6-7-16-9-12)13-8-1 0-4-2-1-3-5-10/h1-5,13H,6 -9H2,(H,14,15)/t12-/m1/s1; UZLSSCFGNVYENJ-GFCCVEGCSA-N |
OC(=O)[C]1(CCOC1)NCc2ccccc2; c1ccc(cc1)C NC2(CCOC2)C(=O)O; OC(=O)[C@]1(CCOC1)NCc2 ccccc2; c1ccc(cc1)CN[C@@]2(CCOC2)C(=O)O; O=C(O)C1(NCc2ccccc2)CCOC1 |
(3R)-3-(benzylamino)oxolane-3-carboxylic acid |
| 44145 | V2A CHEMBL3818998 ZINC000214532430 |
8 | C29 H34 N2 O4 | InChI=1S/C29H34N2O4/c1-29 (2,3)35-28(34)26(18-12-20 -7-5-4-6-8-20)31-27(33)23 -14-17-25(30)22(19-23)13- 9-21-10-15-24(32)16-11-21 /h4-8,10-11,14-17,19,26,3 2H,9,12-13,18,30H2,1-3H3, (H,31,33)/t26-/m0/s1; OACODUCFPHHCIH-SANMLTNESA-N |
CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c2c cc(c(c2)CCc3ccc(cc3)O)N; CC(C)(C)OC(=O)[ CH](CCc1ccccc1)NC(=O)c2ccc(N)c(CCc3ccc(O )cc3)c2; CC(C)(C)OC(=O)C(CCc1ccccc1)NC(= O)c2ccc(c(c2)CCc3ccc(cc3)O)N; C(c1ccccc1 )CC(C(OC(C)(C)C)=O)NC(=O)c2ccc(c(c2)CCc3 ccc(cc3)O)N; CC(C)(C)OC(=O)[C@H](CCc1ccc cc1)NC(=O)c2ccc(N)c(CCc3ccc(O)cc3)c2 |
neoseptin 3; tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate |
| 44146 | V2C CHEMBL3805249 ZINC000653916434 |
2 | C22 H23 Cl N2 O5 | InChI=1S/C22H23ClN2O5/c1- 3-30-18-7-5-4-6-14(18)13- 25-11-10-24-19(25)9-8-15- 20(22(28)29-2)16(26)12-17 (27)21(15)23/h4-7,10-12,2 6-27H,3,8-9,13H2,1-2H3; ZPXKRKAPYWMXER-UHFFFAOYSA-N |
Oc1cc(O)c(c(c1C(=O)OC)CCc2nccn2Cc3ccccc3 OCC)Cl; CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3 Cl)O)O)C(=O)OC; CCOc1ccccc1Cn2ccnc2CCc3c (Cl)c(O)cc(O)c3C(=O)OC |
methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate |
| 44147 | V2D | 2 | C15 H15 N O4 | InChI=1S/C15H15NO4/c1-10- 13(17)6-3-7-14(10)20-9-12 -11(15(18)19-2)5-4-8-16-1 2/h3-8,17H,9H2,1-2H3; KGBJIZYSRFDDKC-UHFFFAOYSA-N |
Cc1c(cccc1OCc2ncccc2C(OC)=O)O; COC(=O)c1 cccnc1COc2cccc(O)c2C; Cc1c(cccc1OCc2c(cc cn2)C(=O)OC)O |
methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate |
| 44148 | V2E ZINC000095081235 |
1 | C11 H12 N2 O4 | InChI=1S/C11H12N2O4/c14-8 -9-1-2-10(13(15)16)11(7-9 )12-3-5-17-6-4-12/h1-2,7- 8H,3-6H2; FAJSCBIMFMOQMQ-UHFFFAOYSA-N |
[O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2; c1cc( c(cc1C=O)N2CCOCC2)[N+](=O)[O-] |
3-morpholin-4-yl-4-nitro-benzaldehyde |
| 44149 | V2F | 1 | C15 H10 Cl2 F3 N3 O3 | InChI=1S/C15H10Cl2F3N3O3/ c16-7-3-8(17)5-9(4-7)22-1 4(25)23-12-6-10(26-15(18, 19)20)1-2-11(12)13(21)24/ h1-6H,(H2,21,24)(H2,22,23 ,25); OOVNLFNTPKRWNU-UHFFFAOYSA-N |
c1cc(c(cc1OC(F)(F)F)NC(=O)Nc2cc(cc(c2)Cl )Cl)C(=O)N; NC(=O)c1ccc(OC(F)(F)F)cc1NC( =O)Nc2cc(Cl)cc(Cl)c2 |
2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide; 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide |
| 44150 | V2G | 2 | C12 H17 N6 O8 P | InChI=1S/C12H17N6O8P/c13- 10-7-11(15-3-14-10)18(4-1 6-7)12-9(22)8(21)5(26-12) 2-25-27(23,24)17-1-6(19)2 0/h3-5,8-9,12,21-22H,1-2H 2,(H,19,20)(H2,13,14,15)( H2,17,23,24)/t5-,8-,9-,12 -/m1/s1; OFENVOUOJQRLCP-JJNLEZRASA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N CC(O)=O)[CH](O)[CH]3O; N(CC(O)=O)P(O)(=O )OCC1OC(C(C1O)O)n2cnc3c2ncnc3N; c1nc(c2c (n1)n(cn2)C3C(C(C(O3)COP(=O)(NCC(=O)O)O) O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C @@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(= O)NCC(O)=O)[C@@H](O)[C@H]3O |
2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid |
| 44151 | V2H CHEMBL1200810 DB06410 ZINC000004641374 |
2 | C28 H44 O2 | InChI=1S/C28H44O2/c1-18(2 )19(3)9-10-20(4)25-13-14- 26-22(8-7-15-28(25,26)6)1 1-12-23-16-24(29)17-27(30 )21(23)5/h9-12,18-20,24-2 7,29-30H,5,7-8,13-17H2,1- 4,6H3/b10-9+,22-11+,23-12 -/t19-,20+,24+,25+,26-,27 -,28+/m0/s1; HKXBNHCUPKIYDM-CGMHZMFXSA-N |
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(C C(C3=C)O)O)C; CC(C)[C@@H](C)\C=C\[C@@H]( C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\ C[C@H](C[C@@H](C3=C)O)O)C; OC3C(=C)/C(=C \C=C1/CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12 )CC(O)C3; CC(C)[CH](C)C=C[CH](C)[CH]1CC[ CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3 =C; CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC [C@H]2C(\CCC[C@]12C)=C\C=C/3C[C@@H](O)C[ C@H](O)C/3=C |
(1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol; 1-alpha-hydroxy-vitamin D2 |
| 44152 | V2I | 2 | C14 H17 N3 O5 S | InChI=1S/C14H17N3O5S/c1-3 -22-13(18)11-8(2)16-14(19 )17-12(11)9-4-6-10(7-5-9) 23(15,20)21/h4-7,12H,3H2, 1-2H3,(H2,15,20,21)(H2,16 ,17,19)/t12-/m0/s1; SRHRLXJWAANTMZ-LBPRGKRZSA-N |
CCOC(=O)C1=C(NC(=O)NC1c2ccc(cc2)S(=O)(=O )N)C; CCOC(=O)C1=C(NC(=O)N[C@H]1c2ccc(cc 2)S(=O)(=O)N)C; CCOC(=O)C1=C(C)NC(=O)N[C H]1c2ccc(cc2)[S](N)(=O)=O; CCOC(=O)C1=C( C)NC(=O)N[C@H]1c2ccc(cc2)[S](N)(=O)=O |
ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate |
| 44153 | V2J | 1 | C15 H21 N6 O8 P | InChI=1S/C15H21N6O8P/c16- 12-9-13(18-5-17-12)21(6-1 9-9)14-11(23)10(22)8(29-1 4)4-28-30(26,27)20-2-1-7( 3-20)15(24)25/h5-8,10-11, 14,22-23H,1-4H2,(H,24,25) (H,26,27)(H2,16,17,18)/t7 -,8+,10+,11+,14+/m0/s1; XUGWBNVYRBVAFE-TWBCTODHSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N4C CC(C4)C(=O)O)O)O)O)N; c21n(cnc1c(ncn2)N) C4C(C(C(COP(=O)(O)N3CC(CC3)C(=O)O)O4)O)O ; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O )N4CC[CH](C4)C(O)=O)[CH](O)[CH]3O; Nc1nc nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)N4C C[C@@H](C4)C(O)=O)[C@@H](O)[C@H]3O; c1nc (c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H]( O3)COP(=O)(N4CC[C@@H](C4)C(=O)O)O)O)O)N |
5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine |
| 44154 | V2K | 1 | C16 H14 N2 O2 | InChI=1S/C16H14N2O2/c1-11 -17-15-9-14(20-2)7-8-16(1 5)18(11)13-5-3-12(10-19)4 -6-13/h3-10H,1-2H3; GCZSSCUCVAUGKC-UHFFFAOYSA-N |
Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC; COc1ccc 2n(c(C)nc2c1)c3ccc(C=O)cc3 |
4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde |
| 44155 | V2L CHEMBL164646 ZINC000002506140 |
1 | C11 H13 N3 | InChI=1S/C11H13N3/c12-8-1 1-13-6-7-14(11)9-10-4-2-1 -3-5-10/h1-7H,8-9,12H2; WAKASDKZDPCQPA-UHFFFAOYSA-N |
c1ccc(cc1)Cn2ccnc2CN; NCc1nccn1Cc1ccccc1 ; NCc1nccn1Cc2ccccc2 |
1-(1-benzyl-1H-imidazol-2-yl)methanamine |
| 44156 | V2M | 55 | C24 H34 N4 O6 | InChI=1S/C24H34N4O6/c1-13 (2)9-18(23(32)27-17(20(30 )12-29)10-14-7-8-25-22(14 )31)28-24(33)19-11-15-16( 26-19)5-4-6-21(15)34-3/h4 -6,11,13-14,17-18,20,26,2 9-30H,7-10,12H2,1-3H3,(H, 25,31)(H,27,32)(H,28,33)/ t14-,17-,18-,20+/m0/s1; FDQSUXUTXIGUIA-PRIDNEQBSA-N |
COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O) NC(CC1CCNC1=O)C(O)CO; CC(C)CC(C(=O)NC(CC 1CCNC1=O)C(CO)O)NC(=O)c2cc3c([nH]2)cccc3 OC; COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C) C)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)CO; CC (C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O) [C@@H](CO)O)NC(=O)c2cc3c([nH]2)cccc3OC; COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C) C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](O)CO |
N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide; N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, bound form |
| 44157 | V2N | 1 | C16 H14 N2 O2 | InChI=1S/C16H14N2O2/c1-11 -17-15-8-7-14(20-2)9-16(1 5)18(11)13-5-3-12(10-19)4 -6-13/h3-10H,1-2H3; FDRJTWROIPLYIS-UHFFFAOYSA-N |
COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1; Cc1nc 2ccc(cc2n1c3ccc(cc3)C=O)OC |
4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde |
| 44158 | V2O CHEMBL5619806 |
1 | C17 H19 F N2 O6 S | InChI=1S/C17H19FN2O6S/c1- 17(2,23)5-6-26-11-4-3-10- 7-13(21)16(15(18)12(10)8- 11)20-9-14(22)19-27(20,24 )25/h3-4,7-8,21,23H,5-6,9 H2,1-2H3,(H,19,22); KJYRSQLWJMEJNM-UHFFFAOYSA-N |
O=C1CN(c2c(F)c3cc(OCCC(C)(C)O)ccc3cc2O)S (=O)(=O)N1; CC(C)(CCOc1ccc2cc(c(c(c2c1)F )N3CC(=O)NS3(=O)=O)O)O; CC(C)(O)CCOc1ccc 2cc(O)c(N3CC(=O)N[S]3(=O)=O)c(F)c2c1 |
5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione |
| 44159 | V2P | 1 | C15 H21 N6 O8 P | InChI=1S/C15H21N6O8P/c16- 12-9-13(18-5-17-12)20(6-1 9-9)14-11(23)10(22)8(29-1 4)4-28-30(26,27)21-3-1-2- 7(21)15(24)25/h5-8,10-11, 14,22-23H,1-4H2,(H,24,25) (H,26,27)(H2,16,17,18)/t7 -,8+,10+,11+,14+/m0/s1; YHPWCYBNNLQQNG-TWBCTODHSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N4C CCC4C(=O)O)O)O)O)N; c1nc(c2c(n1)n(cn2)[C @H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCC [C@H]4C(=O)O)O)O)O)N; Nc1ncnc2n(cnc12)[C H]3O[CH](CO[P](O)(=O)N4CCC[CH]4C(O)=O)[C H](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@ H](CO[P](O)(=O)N4CCC[C@H]4C(O)=O)[C@@H]( O)[C@H]3O; C(C4N(P(O)(OCC3C(O)C(O)C(n1c2 c(nc1)c(N)ncn2)O3)=O)CCC4)(O)=O |
(2~{S})-1-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid |
| 44160 | V2Q | 1 | C12 H13 N O3 | InChI=1S/C12H13NO3/c1-16- 11-6-13(7-11)12(15)10-4-2 -9(8-14)3-5-10/h2-5,8,11H ,6-7H2,1H3; LYPKTPMANKAIQQ-UHFFFAOYSA-N |
COC1CN(C1)C(=O)c2ccc(cc2)C=O; COC1CN(C1) C(=O)c2ccc(C=O)cc2 |
4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde |
| 44161 | V2R ZINC000008614802 |
1 | C7 H5 F N2 O | InChI=1S/C7H5FN2O/c8-4-1- 2-6-5(3-4)10-7(9)11-6/h1- 3H,(H2,9,10); PFPSBRGOJCFWKD-UHFFFAOYSA-N |
c1cc2c(cc1F)nc(o2)N; Nc1oc2ccc(F)cc2n1 | 5-fluoranyl-1,3-benzoxazol-2-amine |
| 44162 | V2S ZINC000004096180 |
2 | C19 H23 N6 O8 P | InChI=1S/C19H23N6O8P/c20- 16-13-17(22-8-21-16)25(9- 23-13)18-15(27)14(26)12(3 3-18)7-32-34(30,31)24-11( 19(28)29)6-10-4-2-1-3-5-1 0/h1-5,8-9,11-12,14-15,18 ,26-27H,6-7H2,(H,28,29)(H 2,20,21,22)(H2,24,30,31)/ t11-,12+,14+,15+,18+/m0/s 1; OXCQKAQOLIIWJO-URQYDQELSA-N |
c1ccc(cc1)C[C@@H](C(=O)O)NP(=O)(O)OC[C@@ H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N) O)O; c1ccc(cc1)CC(C(=O)O)NP(=O)(O)OCC2C( C(C(O2)n3cnc4c3ncnc4N)O)O; Nc1ncnc2n(cnc 12)[CH]3O[CH](CO[P](O)(=O)N[CH](Cc4ccccc 4)C(O)=O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12) [C@@H]3O[C@H](CO[P](O)(=O)N[C@@H](Cc4ccc cc4)C(O)=O)[C@@H](O)[C@H]3O; C(C(NP(=O)( O)OCC3OC(n2c1c(c(N)ncn1)nc2)C(O)C3O)Cc4c cccc4)(O)=O |
(2~{S})-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid |
| 44163 | V2T | 1 | C12 H11 N3 O2 | InChI=1S/C12H11N3O2/c1-15 -7-6-11(14-15)13-12(17)10 -4-2-9(8-16)3-5-10/h2-8H, 1H3,(H,13,14,17); UNHIRXLYGSCEKF-UHFFFAOYSA-N |
Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1; Cn1ccc(n1 )NC(=O)c2ccc(cc2)C=O |
4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide |
| 44164 | V2U CHEMBL4753202 ZINC000003093786 |
1 | C10 H12 Cl N O3 | InChI=1S/C10H12ClNO3/c1-1 4-8-3-7(12-10(13)6-11)4-9 (5-8)15-2/h3-5H,6H2,1-2H3 ,(H,12,13); OAFXUKHPQCSRPT-UHFFFAOYSA-N |
COc1cc(NC(=O)CCl)cc(OC)c1; COc1cc(cc(OC) c1)NC(=O)CCl; COc1cc(cc(c1)OC)NC(=O)CCl |
2-chloro-N-(3,5-dimethoxyphenyl)acetamide |
| 44165 | V2V ZINC000008551233 |
12 | C14 H25 N3 O15 P2 | InChI=1S/C14H25N3O15P2/c1 5-9-1-2-17(14(24)16-9)13- 12(23)11(22)8(31-13)5-30- 34(27,28)32-33(25,26)29-4 -7(20)10(21)6(19)3-18/h1- 2,6-8,10-13,18-23H,3-5H2, (H,25,26)(H,27,28)(H2,15, 16,24)/t6-,7+,8+,10-,11+, 12+,13+/m0/s1; DPJKHFICSGCNIR-HRENORGGSA-N |
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)( =O)O[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H] (O)CO)[C@@H](O)[C@H]2O; C1=CN(C(=O)N=C1N )C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC(C(C(C O)O)O)O)O)O; C1=CN(C(=O)N=C1N)[C@H]2[C@@ H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OC[C@H ]([C@H]([C@H](CO)O)O)O)O)O; NC1=NC(=O)N( C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O C[CH](O)[CH](O)[CH](O)CO)[CH](O)[CH]2O; C1=CN(C(N=C1N)=O)C2C(C(C(COP(=O)(O)OP(=O )(O)OCC(C(C(CO)O)O)O)O2)O)O |
CDP-ribitol; [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate |
| 44166 | V2W | 1 | C16 H15 N O3 | InChI=1S/C16H15NO3/c1-20- 15-8-4-12(5-9-15)10-17-16 (19)14-6-2-13(11-18)3-7-1 4/h2-9,11H,10H2,1H3,(H,17 ,19); SCOZUTCGYBXUCE-UHFFFAOYSA-N |
COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O; COc1cc c(CNC(=O)c2ccc(C=O)cc2)cc1 |
4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide |
| 44167 | V2X | 1 | C13 H16 N2 O2 | InChI=1S/C13H16N2O2/c1-8- 4-3-5-10(6-8)11-7-12(11)1 3(17)15-14-9(2)16/h3-6,11 -12H,7H2,1-2H3,(H,14,16)( H,15,17)/t11-,12+/m1/s1; ZZBMEPNWKSBENV-NEPJUHHUSA-N |
CC(=O)NNC(=O)[C@H]1C[C@@H]1c2cccc(C)c2; Cc1cccc(c1)C2CC2C(=O)NNC(=O)C; CC(=O)NNC (=O)[CH]1C[CH]1c2cccc(C)c2; Cc1cccc(c1)[ C@H]2C[C@@H]2C(=O)NNC(=O)C |
(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide |
| 44168 | V2Y | 1 | C32 H34 N12 O9 | InChI=1S/C32H34N12O9/c33- 18(45)8-14-4-1-2-5-15(14) 30(50)36-9-16-22(46)25(49 )32(52-16)44-19(42-21-27( 35)38-12-40-29(21)44)6-3- 7-51-10-17-23(47)24(48)31 (53-17)43-13-41-20-26(34) 37-11-39-28(20)43/h1-2,4- 5,11-13,16-17,22-25,31-32 ,46-49H,7-10H2,(H2,33,45) (H,36,50)(H2,34,37,39)(H2 ,35,38,40)/t16-,17-,22-,2 3-,24-,25-,31-,32-/m1/s1; IDURCHWLBBOOLD-SXRMHTKDSA-N |
NC(=O)Cc1ccccc1C(=O)NC[C@H]2O[C@H]([C@H] (O)[C@@H]2O)n3c(nc4c(N)ncnc34)C#CCOC[C@H ]5O[C@H]([C@H](O)[C@@H]5O)n6cnc7c(N)ncnc 67; c1ccc(c(c1)CC(=O)N)C(=O)NC[C@@H]2[C@ H]([C@H]([C@@H](O2)n3c(nc4c3ncnc4N)C#CCO C[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6nc nc7N)O)O)O)O; NC(=O)Cc1ccccc1C(=O)NC[CH] 2O[CH]([CH](O)[CH]2O)n3c(nc4c(N)ncnc34)C #CCOC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N) ncnc67; c1ccc(c(c1)CC(=O)N)C(=O)NCC2C(C( C(O2)n3c(nc4c3ncnc4N)C#CCOCC5C(C(C(O5)n6 cnc7c6ncnc7N)O)O)O)O |
~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-(2-azanyl-2-oxidanylidene-ethyl)benzamide |
| 44169 | V2Z ZINC000034363654 |
1 | C12 H13 N3 O | InChI=1S/C12H13N3O/c1-2-4 -10-12(16)14-8-11(15-10)9 -5-3-6-13-7-9/h3,5-8H,2,4 H2,1H3,(H,14,16); ZKLHKFWUNCAKLE-UHFFFAOYSA-N |
CCCC1=NC(=CNC1=O)c2cccnc2 | 3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE |
| 44170 | V30 ZINC000008742812 |
1 | C12 H15 N3 O3 S2 | InChI=1S/C12H15N3O3S2/c1- 6-7(2)20-11-9(6)10(18)14- 12(15-11)19-5-8(17)13-3-4 -16/h16H,3-5H2,1-2H3,(H,1 3,17)(H,14,15,18); ICCYYTXQEBNXNT-UHFFFAOYSA-N |
O=C1c2c(c(sc2N=C(SCC(=O)NCCO)N1)C)C; Cc1 sc2N=C(NC(=O)c2c1C)SCC(=O)NCCO; Cc1c(sc2 c1C(=O)NC(=N2)SCC(=O)NCCO)C |
2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide |
| 44171 | V31 | 3 | C14 H12 Br N O4 S | InChI=1S/C14H12BrNO4S/c15 -11-6-7-13(12(8-11)14(17) 18)16-21(19,20)9-10-4-2-1 -3-5-10/h1-8,16H,9H2,(H,1 7,18); RQMLGQUAXPPRSN-UHFFFAOYSA-N |
OC(=O)c1cc(Br)ccc1N[S](=O)(=O)Cc2ccccc2; c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br |
5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid |
| 44172 | V32 ZINC000039320504 |
1 | C12 H13 N O3 | InChI=1S/C12H13NO3/c14-9- 10-1-3-11(4-2-10)12(15)13 -5-7-16-8-6-13/h1-4,9H,5- 8H2; WVDVJQSVTBHGQL-UHFFFAOYSA-N |
c1cc(ccc1C=O)C(=O)N2CCOCC2; O=Cc1ccc(cc1 )C(=O)N2CCOCC2 |
4-morpholin-4-ylcarbonylbenzaldehyde |
| 44173 | V33 CHEMBL345053 ZINC000000153280 |
1 | C9 H10 O3 | InChI=1S/C9H10O3/c1-12-8- 4-2-3-7(5-8)6-9(10)11/h2- 5H,6H2,1H3,(H,10,11); LEGPZHPSIPPYIO-UHFFFAOYSA-N |
COc1cccc(c1)CC(=O)O; COc1cc(CC(=O)O)ccc1 ; COc1cccc(CC(O)=O)c1 |
(3-methoxyphenyl)acetic acid |
| 44174 | V34 | 2 | C27 H36 N4 O6 | InChI=1S/C27H36N4O6/c1-5- 37-24(32)10-9-18(14-17-11 -12-28-25(17)33)29-26(34) 21(13-16(2)3)31-27(35)22- 15-19-20(30-22)7-6-8-23(1 9)36-4/h6-10,15-18,21,30H ,5,11-14H2,1-4H3,(H,28,33 )(H,29,34)(H,31,35)/b10-9 +/t17-,18+,21-/m0/s1; LBYBJSLPFZFADD-BNMFZAHFSA-N |
CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(C)C)N C(=O)c2cc3c([nH]2)cccc3OC; CCOC(=O)[C@H] =[C@H]C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O) c3cc2c(OC)cccc2n3; CCOC(=O)C=C[CH](C[CH] 1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)c2[nH]c 3cccc(OC)c3c2; CCOC(=O)C=C[C@H](C[C@@H]1 CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c( [nH]2)cccc3OC; CCOC(=O)/C=C/[C@H](C[C@@H ]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2[nH ]c3cccc(OC)c3c2 |
ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
| 44175 | V35 DB08692 ZINC000169748514 |
1 | C10 H14 B Cl N O4 | InChI=1S/C10H14BClNO4/c1- 7(14)13-10(11(15,16)17)6- 8-2-4-9(12)5-3-8/h2-5,10, 15-17H,6H2,1H3,(H,13,14)/ q-1/t10-/m1/s1; FPCXTDQHLFRWCJ-SNVBAGLBSA-N |
[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O) O; CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)O ; CC(=O)N[C@H](Cc1ccc(Cl)cc1)[B-](O)(O)O ; Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O; [B -](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O |
D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID; D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID |
| 44176 | V36 DB08693 ZINC000169748515 |
1 | C10 H14 B Cl N O4 | InChI=1S/C10H14BClNO4/c1- 7(14)13-10(11(15,16)17)6- 8-2-4-9(12)5-3-8/h2-5,10, 15-17H,6H2,1H3,(H,13,14)/ q-1/t10-/m0/s1; FPCXTDQHLFRWCJ-JTQLQIEISA-N |
CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)O; C C(=O)N[C@@H](Cc1ccc(Cl)cc1)[B-](O)(O)O; [B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O ; Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O; [B -](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O |
L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID; L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID |
| 44177 | V37 CHEMBL1947053 ZINC000101644896 |
10 | C22 H25 N O2 | InChI=1S/C22H25NO2/c24-22 (18-9-5-2-6-10-18)25-21-1 5-19-11-12-20(16-21)23(19 )14-13-17-7-3-1-4-8-17/h1 -10,19-21H,11-16H2/t19-,2 0+,21+; ZVQCTZVWEBSXKK-AERCQKQUSA-N |
O=C(OC1C[CH]2CC[CH](C1)N2CCc3ccccc3)c4cc ccc4; c1ccc(cc1)CCN2[C@@H]3CC[C@H]2CC(C3 )OC(=O)c4ccccc4; c1ccc(cc1)CCN2C3CCC2CC( C3)OC(=O)c4ccccc4; O=C(OC1C[C@H]2CC[C@@H ](C1)N2CCc3ccccc3)c4ccccc4 |
[(1R,5S)-8-PHENETHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE |
| 44178 | V38 ZINC000254120913 |
10 | C23 H28 N O3 | InChI=1S/C23H28NO3/c1-24( 16-22(25)17-8-4-2-5-9-17) 19-12-13-20(24)15-21(14-1 9)27-23(26)18-10-6-3-7-11 -18/h2-11,19-22,25H,12-16 H2,1H3/q+1/t19-,20+,21+,2 2-,24+/m0/s1; UOBMQJGLFUHOEX-KVZQYWQLSA-N |
C[N+]1(C2CCC1CC(C2)OC(=O)c3ccccc3)CC(c4c cccc4)O; C[N+]1(C[CH](O)c2ccccc2)[CH]3CC [CH]1C[CH](C3)OC(=O)c4ccccc4; C[N+]1([C@ @H]2CC[C@H]1CC(C2)OC(=O)c3ccccc3)C[C@@H] (c4ccccc4)O; C[N@+]1(C[C@H](O)c2ccccc2)[ C@@H]3CC[C@H]1C[C@H](C3)OC(=O)c4ccccc4 |
[(1R,5S)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-METHYL-8-AZONIABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE |
| 44179 | V39 | 3 | C14 H15 N O3 | InChI=1S/C14H15NO3/c1-10- 13(17)6-3-7-14(10)18-9-12 -5-2-4-11(8-16)15-12/h2-7 ,16-17H,8-9H2,1H3; ABSPMLLMAMTEDZ-UHFFFAOYSA-N |
Cc1c(O)cccc1OCc2cccc(CO)n2; Cc1c(cccc1O) OCc2cccc(n2)CO; Cc1c(cccc1OCc2cccc(n2)CO )O |
3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol |
| 44180 | V3A | 1 | C11 H17 F N5 O11 P3 | InChI=1S/C11H17FN5O11P3/c 12-11(29(19,20)21)30(22,2 3)28-31(24,25)26-2-6-5(18 )1-7(27-6)17-4-16-8-9(13) 14-3-15-10(8)17/h3-7,11,1 8H,1-2H2,(H,22,23)(H,24,2 5)(H2,13,14,15)(H2,19,20, 21)/t5-,6+,7-,11+/m0/s1; AHVBRAYGASDMPK-QMWPFBOUSA-N |
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O 3)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O )N; Nc1ncnc2n(cnc12)[C@@H]3C[C@H](O)[C@@ H](CO[P](O)(=O)O[P](O)(=O)[C@H](F)[P](O) (O)=O)O3; c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO P(=O)(O)OP(=O)(C(F)P(=O)(O)O)O)O)N; P(=O )(O)(OP(O)(C(P(=O)(O)O)F)=O)OCC3OC(n1cnc 2c1ncnc2N)CC3O; Nc1ncnc2n(cnc12)[CH]3C[C H](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](F) [P](O)(O)=O)O3 |
9-{2-deoxy-5-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine |
| 44181 | V3B | 1 | C15 H19 N3 O3 | InChI=1S/C15H19N3O3/c1-16 (2)15(21)18-9-7-17(8-10-1 8)14(20)13-5-3-12(11-19)4 -6-13/h3-6,11H,7-10H2,1-2 H3; YLCTXUGWTWGVFY-UHFFFAOYSA-N |
CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2; CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O |
4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide |
| 44182 | V3C | 0 | C7 H13 N O2 | InChI=1S/C7H13NO2/c1-2-5- 3-6(7(9)10)8-4-5/h5-6,8H, 2-4H2,1H3,(H,9,10)/t5-,6+ /m1/s1; VQZWJPSIXQCRTF-RITPCOANSA-N |
CC[C@H]1CN[C@@H](C1)C(O)=O; CCC1CC(NC1)C (=O)O; CC[C@@H]1C[C@H](NC1)C(=O)O; CC[CH ]1CN[CH](C1)C(O)=O |
Trans-4-athyl-L-proline; (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid; ethyl-L-proline |
| 44183 | V3D CHEMBL4763730 |
2 | C32 H35 N5 O7 | InChI=1S/C32H35N5O7/c1-18 (2)13-25(37-31(41)26-15-2 2-23(35-26)9-6-10-28(22)4 3-3)30(40)36-24(14-19-11- 12-34-29(19)39)27(38)17-4 4-32(42)21-8-5-4-7-20(21) 16-33/h4-10,15,18-19,24-2 5,35H,11-14,17H2,1-3H3,(H ,34,39)(H,36,40)(H,37,41) /t19-,24-,25-/m0/s1; QDDDUZBEUKGROG-LQGLAIQGSA-N |
COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C) C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COC(=O )c4ccccc4C#N; CC(C)CC(C(=O)NC(CC1CCNC1=O )C(=O)COC(=O)c2ccccc2C#N)NC(=O)c3cc4c([n H]3)cccc4OC; COc1cccc2[nH]c(cc12)C(=O)N[ CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C(=O )COC(=O)c4ccccc4C#N; COc1cccc2c1cc(n2)C( NC(C(=O)NC(C(=O)COC(c3ccccc3C#N)=O)CC4CC NC4=O)CC(C)C)=O; CC(C)C[C@@H](C(=O)N[C@@ H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c2ccccc2C #N)NC(=O)c3cc4c([nH]3)cccc4OC |
(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate |
| 44184 | V3E ZINC000013354200 |
1 | C10 H13 N O3 | InChI=1S/C10H13NO3/c1-14- 10(13)8(11)6-7-4-2-3-5-9( 7)12/h2-5,8,12H,6,11H2,1H 3/t8-/m0/s1; RFUHEJIZWPQATB-QMMMGPOBSA-N |
COC(=O)[C@H](Cc1ccccc1O)N; COC(=O)[CH](N )Cc1ccccc1O; COC(=O)C(Cc1ccccc1O)N; COC( =O)[C@@H](N)Cc1ccccc1O |
(2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoic acid |
| 44185 | V3F ZINC000000119710 |
2 | C10 H10 N2 O2 | InChI=1S/C10H10N2O2/c1-10 (7-5-3-2-4-6-7)8(13)11-9( 14)12-10/h2-6H,1H3,(H2,11 ,12,13,14)/t10-/m0/s1; JNGWGQUYLVSFND-JTQLQIEISA-N |
CC1(C(=O)NC(=O)N1)c2ccccc2; C[C@@]1(C(=O )NC(=O)N1)c2ccccc2; C[C]1(NC(=O)NC1=O)c2 ccccc2; C[C@]1(NC(=O)NC1=O)c2ccccc2; CC1 (NC(=O)NC1=O)c1ccccc1 |
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione |
| 44186 | V3H | 2 | C23 H30 N3 O6 S | InChI=1S/C23H29N3O6S/c1-5 -6-12-31-22(30)17(20-25-1 8(21(28)29)23(3,4)33-20)2 4-19(27)15-13(2)32-26-16( 15)14-10-8-7-9-11-14/h7-1 1,17-18,20,25H,5-6,12H2,1 -4H3,(H,24,27)(H,28,29)/p +1/t17-,18-,20+/m0/s1; KTVAJMKGNMTGBA-CMKODMSKSA-O |
CCCCOC(=O)[C@H]([C@@H]1[NH2+][C@H](C(S1) (C)C)C(=O)O)NC(=O)c2c(onc2c3ccccc3)C; CC CCOC(=O)[C@@H](NC(=O)c1c(C)onc1c2ccccc2) [C@@H]3[NH2+][C@@H](C(O)=O)C(C)(C)S3; CC CCOC(=O)[CH](NC(=O)c1c(C)onc1c2ccccc2)[C H]3[NH2+][CH](C(O)=O)C(C)(C)S3; CCCCOC(= O)C(C1[NH2+]C(C(S1)(C)C)C(=O)O)NC(=O)c2c (onc2c3ccccc3)C |
(2R,4S)-2-[(1R)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid; Hydrolyzed Oxacillin |
| 44187 | V3J CHEMBL1341115 ZINC000000171489 |
1 | C11 H11 N3 O2 S | InChI=1S/C11H11N3O2S/c15- 11(14-3-5-16-6-4-14)8-1-2 -10-9(7-8)12-13-17-10/h1- 2,7H,3-6H2; NDUBYKRNILHJSF-UHFFFAOYSA-N |
O=C(N1CCOCC1)c2ccc3snnc3c2; C3N(C(c2ccc1 c(nns1)c2)=O)CCOC3; c1cc2c(cc1C(=O)N3CCO CC3)nns2 |
(4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
| 44188 | V3K | 1 | C13 H13 N3 O2 | InChI=1S/C13H13N3O2/c1-16 -8-11(7-15-16)6-14-13(18) 12-4-2-10(9-17)3-5-12/h2- 5,7-9H,6H2,1H3,(H,14,18); OAHCODILUFYPHA-UHFFFAOYSA-N |
Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1; Cn1cc(cn 1)CNC(=O)c2ccc(cc2)C=O |
4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide |
| 44189 | V3L ZINC000098209518 |
9 | C15 H23 N5 O14 P2 | InChI=1S/C15H23N5O14P2/c1 6-12-7-13(18-3-17-12)20(4 -19-7)14-11(9(22)6(32-14) 2-31-36(27,28)29)34-15-10 (23)8(21)5(33-15)1-30-35( 24,25)26/h3-6,8-11,14-15, 21-23H,1-2H2,(H2,16,17,18 )(H2,24,25,26)(H2,27,28,2 9)/t5-,6-,8-,9-,10-,11-,1 4-,15-/m1/s1; BHIWBSNWEZIHHL-KEOHHSTQSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O )=O)[C@@H](O)[C@H]3O[C@H]4O[C@H](CO[P](O )(O)=O)[C@@H](O)[C@H]4O; c1nc(c2c(n1)n(c n2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)( O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP (=O)(O)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[C H](CO[P](O)(O)=O)[CH](O)[CH]3O[CH]4O[CH] (CO[P](O)(O)=O)[CH](O)[CH]4O; c1nc(c2c(n 1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)OC4C(C( C(O4)COP(=O)(O)O)O)O)N; O=P(O)(O)OCC4OC( n1c2ncnc(N)c2nc1)C(OC3OC(C(O)C3O)COP(=O) (O)O)C4O |
2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate) |
| 44190 | V3M ZINC000044154413 |
3 | C5 H9 F O4 | InChI=1S/C5H9FO4/c6-3-4(8 )2(1-7)10-5(3)9/h2-5,7-9H ,1H2/t2-,3+,4-,5+/m1/s1; RTUWTJAKZMHWBQ-LECHCGJUSA-N |
C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O; OC[C@H]1O[C@H](O)[C@@H](F)[C@@H]1O; C(C1 C(C(C(O1)O)F)O)O; OC[CH]1O[CH](O)[CH](F) [CH]1O; OC1OC(CO)C(C1F)O |
2-deoxy-2-fluoro-alpha-D-arabinofuranose |
| 44191 | V3N | 1 | C14 H17 N O3 | InChI=1S/C14H17NO3/c16-10 -12-1-3-13(4-2-12)14(17)1 5-9-11-5-7-18-8-6-11/h1-4 ,10-11H,5-9H2,(H,15,17); DEZVNKDDRZQHEA-UHFFFAOYSA-N |
c1cc(ccc1C=O)C(=O)NCC2CCOCC2; O=Cc1ccc(c c1)C(=O)NCC2CCOCC2 |
4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide |
| 44192 | V3O CHEMBL548080 ZINC000000861830 |
2 | C15 H13 Cl N4 O S2 | InChI=1S/C15H13ClN4OS2/c1 -8-13(23-15(17-8)18-9(2)2 1)12-7-22-14(20-12)19-11- 5-3-10(16)4-6-11/h3-7H,1- 2H3,(H,19,20)(H,17,18,21); XDADMRNUKRNNLA-UHFFFAOYSA-N |
Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccc(cc3)C l; CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc 2)n1; CC(=O)Nc1sc(c(C)n1)c2csc(Nc3ccc(Cl )cc3)n2 |
N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide |
| 44193 | V3P | 1 | C12 H15 I O4 S2 | InChI=1S/C12H15IO4S2/c13- 6-1-3-7(4-2-6)19-12-10(16 )9(15)11(18)8(5-14)17-12/ h1-4,8-12,14-16,18H,5H2/t 8-,9-,10-,11-,12+/m1/s1; VVMIJZYWEDEWJA-OOCWMUITSA-N |
c1cc(ccc1SC2C(C(C(C(O2)CO)S)O)O)I; OC[CH ]1O[CH](Sc2ccc(I)cc2)[CH](O)[CH](O)[CH]1 S; c1cc(ccc1S[C@H]2[C@@H]([C@H]([C@@H]([ C@H](O2)CO)S)O)O)I; OC[C@H]1O[C@@H](Sc2c cc(I)cc2)[C@H](O)[C@@H](O)[C@@H]1S; C1(C (CO)OC(C(C1O)O)Sc2ccc(cc2)I)S |
4-iodophenyl 1,4-dithio-beta-D-glucopyranoside |
| 44194 | V3Q | 1 | C16 H15 N O3 | InChI=1S/C16H15NO3/c1-20- 15-4-2-3-13(9-15)10-17-16 (19)14-7-5-12(11-18)6-8-1 4/h2-9,11H,10H2,1H3,(H,17 ,19); BUXCRYYBSCLNTF-UHFFFAOYSA-N |
COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1; COc1cc cc(c1)CNC(=O)c2ccc(cc2)C=O |
4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide |
| 44195 | V3R ZINC000057218699 |
1 | C10 H13 F2 N | InChI=1S/C10H13F2N/c1-7(1 3)2-3-8-4-5-9(11)10(12)6- 8/h4-7H,2-3,13H2,1H3/t7-/ m0/s1; TVJUZDQYBVCQIX-ZETCQYMHSA-N |
C[C@@H](CCc1ccc(c(c1)F)F)N; C[C@H](N)CCc 1ccc(F)c(F)c1; CC(CCc1ccc(c(c1)F)F)N; C[ CH](N)CCc1ccc(F)c(F)c1; Fc1ccc(CCC(C)N)c c1F |
(2S)-4-(3,4-difluorophenyl)butan-2-amine |
| 44196 | V3S | 2 | C16 H21 N5 O2 | InChI=1S/C16H21N5O2/c1-11 (2)21-10-17-20-15(21)12-6 -5-8-14(18-12)19-16(22)13 -7-3-4-9-23-13/h5-6,8,10- 11,13H,3-4,7,9H2,1-2H3,(H ,18,19,22)/t13-/m1/s1; ZKCUEAJARGYWOA-CYBMUJFWSA-N |
CC(C)n1cnnc1c2cccc(NC(=O)[CH]3CCCCO3)n2; CC(C)n1cnnc1c2cccc(NC(=O)[C@H]3CCCCO3)n 2; c3n(c(c2cccc(NC(=O)C1CCCCO1)n2)nn3)C( C)C; CC(C)n1cnnc1c2cccc(n2)NC(=O)C3CCCCO 3; CC(C)n1cnnc1c2cccc(n2)NC(=O)[C@H]3CCC CO3 |
(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide |
| 44197 | V3T | 1 | C13 H13 N3 O2 | InChI=1S/C13H13N3O2/c1-16 -7-6-14-12(16)8-15-13(18) 11-4-2-10(9-17)3-5-11/h2- 7,9H,8H2,1H3,(H,15,18); NFZAMDZEFTZCEP-UHFFFAOYSA-N |
Cn1ccnc1CNC(=O)c2ccc(C=O)cc2; Cn1ccnc1CN C(=O)c2ccc(cc2)C=O |
4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide |
| 44198 | V3U ZINC000255187404 |
8 | C8 H10 Br N O2 | InChI=1S/C8H10BrNO2/c1-12 -5-4-10-3-2-7(9)6-8(10)11 /h2-3,6H,4-5H2,1H3; DIGIWFMOFFHOCA-UHFFFAOYSA-N |
COCCN1C=CC(=CC1=O)Br | 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one |
| 44199 | V3V CHEMBL5092284 |
3 | C25 H18 Cl F N6 O4 | InChI=1S/C25H18ClFN6O4/c1 -12-20(22(34)31-19-10-13( 23(35)36)8-9-28-19)21(15- 4-2-3-5-16(15)26)32-24(29 -12)33-25-30-17-7-6-14(27 )11-18(17)37-25/h2-11,21H ,1H3,(H,35,36)(H,28,31,34 )(H2,29,30,32,33)/t21-/m0 /s1; MNTJOCWGZZCRNY-NRFANRHFSA-N |
CC1=C(C(N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc 4Cl)C(=O)Nc5cc(ccn5)C(=O)O; CC1=C([C@@H] (N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc4Cl)C(= O)Nc5cc(ccn5)C(=O)O; O=C(O)c5ccnc(NC(C3= C(NC(Nc2nc1c(cc(F)cc1)o2)=NC3c4ccccc4Cl) C)=O)c5; CC1=C([CH](N=C(N1)Nc2oc3cc(F)cc c3n2)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(O)=O; CC1=C([C@@H](N=C(N1)Nc2oc3cc(F)ccc3n2)c4 ccccc4Cl)C(=O)Nc5cc(ccn5)C(O)=O |
2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid |
| 44200 | V3W | 1 | C14 H17 N O3 | InChI=1S/C14H17NO3/c1-18- 13-6-8-15(9-7-13)14(17)12 -4-2-11(10-16)3-5-12/h2-5 ,10,13H,6-9H2,1H3; ZOMLYGRJHVNCLW-UHFFFAOYSA-N |
COC1CCN(CC1)C(=O)c2ccc(cc2)C=O; COC1CCN( CC1)C(=O)c2ccc(C=O)cc2 |
4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde |