Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 31601 |  L0X |
1 | C22 H37 N5 O | InChI=1S/C22H37N5O/c1-2-2 1(28)27(15-8-4-7-14-25-22 (23)24)20-12-17-26(18-13- 20)16-11-19-9-5-3-6-10-19 /h3,5-6,9-10,20H,2,4,7-8, 11-18H2,1H3,(H4,23,24,25); GYNGGXVVNBPKPG-UHFFFAOYSA-N |
[H]/N=C(/N)\NCCCCCN(C1CCN(CC1)CCc2ccccc2 )C(=O)CC; CCC(=O)N(CCCCCNC(=N)N)C1CCN(CC c2ccccc2)CC1; CCC(=O)N(CCCCCNC(=N)N)C1CC N(CC1)CCc2ccccc2; CCC(=O)N(CCCCCNC(N)=N) C1CCN(CC1)CCc2ccccc2 |
N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
| 31602 |  L0Y |
2 | C26 H32 N2 O5 | InChI=1S/C26H32N2O5/c1-28 (17-20-11-12-22-24(23(20) 26(30)31)33-14-13-32-22)1 6-19-9-5-6-10-21(19)25(29 )27-15-1-7-3-2-4-8-18/h5- 6,9-12,18H,2-4,7-8,13-17H 2,1H3,(H,27,29)(H,30,31); XSHGFHPQUOIBPT-UHFFFAOYSA-N |
CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4OCCOc 4c3C(O)=O; O=C(NCC1CCCCC1)c2ccccc2CN(C)C c4ccc3OCCOc3c4C(=O)O; CN(Cc1ccccc1C(=O)N CC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4 |
6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
| 31603 |  L0Z CHEMBL4566818 |
2 | C36 H38 N6 O2 | InChI=1S/C36H38N6O2/c1-23 -28(7-6-8-30(23)40-34(43) 25-13-15-27(16-14-25)36(2 ,3)4)32-29-21-31(39-33(29 )38-22-37-32)24-9-11-26(1 2-10-24)35(44)42-19-17-41 (5)18-20-42/h6-16,21-22H, 17-20H2,1-5H3,(H,40,43)(H ,37,38,39); IGVLLOMIUXKXBM-UHFFFAOYSA-N |
CN1CCN(CC1)C(=O)c2ccc(cc2)c3[nH]c4ncnc(c 5cccc(NC(=O)c6ccc(cc6)C(C)(C)C)c5C)c4c3; Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4 cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C |
4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide |
| 31604 |  L10 |
1 | C20 H21 Cl N4 O | InChI=1S/C20H21ClN4O/c1-2 0(2,3)17-13-18(25(24-17)1 6-7-5-4-6-8-16)23-19(26)2 2-15-11-9-14(21)10-12-15/ h4-13,24H,1-3H3,(H,22,26) /b23-18+; PEGHHVFLTANTIZ-PTGBLXJZSA-N |
CC(C)(C)C1=CC(=NC(=O)Nc2ccc(Cl)cc2)N(N1) c3ccccc3; CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc 2)Cl)N(N1)c3ccccc3; Clc1ccc(cc1)NC(=O)/N =C3\C=C(NN3c2ccccc2)C(C)(C)C |
N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA |
| 31605 |  L11 DB08068 ZINC000033295973 |
1 | C23 H25 Cl F N3 O3 | InChI=1S/C23H25ClFN3O3/c2 4-22-4-3-19(11-17(22)15-3 1-21-2-1-5-26-14-21)27-23 (29)16-10-18(25)13-20(12- 16)28-6-8-30-9-7-28/h1-5, 10-11,14,18,20H,6-9,12-13 ,15H2,(H,27,29)/t18-,20-/ m0/s1; YQJVDUKATDECHF-ICSRJNTNSA-N |
Clc1ccc(cc1COc2cccnc2)NC(=O)C4=CC(F)CC(N 3CCOCC3)C4; F[CH]1C[CH](CC(=C1)C(=O)Nc2c cc(Cl)c(COc3cccnc3)c2)N4CCOCC4; F[C@@H]1 C[C@H](CC(=C1)C(=O)Nc2ccc(Cl)c(COc3cccnc 3)c2)N4CCOCC4; c1cc(cnc1)OCc2cc(ccc2Cl)N C(=O)C3=CC(CC(C3)N4CCOCC4)F |
N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- |
| 31606 |  L12 CHEMBL193156 DB01953 ZINC000000094256 |
1 | C15 H14 N2 | InChI=1S/C15H14N2/c1-2-4- 15-14(3-1)13(11-17-15)6-5 -12-7-9-16-10-8-12/h1-4,7 -11,17H,5-6H2; UUEYCHLWAOBOHG-UHFFFAOYSA-N |
n1ccc(cc1)CCc3c2ccccc2nc3; c1ccc2c(c1)c( c[nH]2)CCc3ccncc3; C(Cc1c[nH]c2ccccc12)c 3ccncc3 |
3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE; INHIBITOR OF P38 KINASE |
| 31607 |  L13 DB08069 ZINC000006812656 |
2 | C9 H10 N4 S | InChI=1S/C9H10N4S/c1-6-4- 2-3-5-7(6)8-11-12-9(14)13 (8)10/h2-5H,10H2,1H3,(H,1 2,14); CUEYNOAJNUCBAP-UHFFFAOYSA-N |
Cc1ccccc1C2=NNC(=S)N2N; S=C1N(N)C(=NN1)c 2c(cccc2)C |
4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE |
| 31608 |  L14 ZINC000100020651 |
2 | C8 H12 O4 | InChI=1S/C8H12O4/c9-7(10) 5-1-2-6(4-3-5)8(11)12/h5- 6H,1-4H2,(H,9,10)(H,11,12 )/t5-,6-; PXGZQGDTEZPERC-IZLXSQMJSA-N |
C1CC(CCC1C(=O)O)C(=O)O; OC(=O)[CH]1CC[CH ](CC1)C(O)=O; O=C(O)C1CCC(C(=O)O)CC1; OC (=O)[C@@H]1CC[C@H](CC1)C(O)=O |
trans-cyclohexane-1,4-dicarboxylic acid |
| 31609 |  L15 CHEMBL228224 DB08070 ZINC000016052554 |
1 | C12 H15 N3 | InChI=1S/C12H15N3/c1-9-12 (8-14-15-9)11-4-2-10(3-5- 11)6-7-13/h2-5,8H,6-7,13H 2,1H3,(H,14,15); ILTOXASLQDKYJW-UHFFFAOYSA-N |
n2c(c(c1ccc(cc1)CCN)cn2)C; Cc1n[nH]cc1c2 ccc(CCN)cc2; Cc1c(c[nH]n1)c2ccc(cc2)CCN |
2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE |
| 31610 |  L17 ZINC000016051725 |
1 | C22 H20 Cl2 F2 N4 O3 | InChI=1S/C22H20Cl2F2N4O3/ c1-14(15-5-4-6-16(23)11-1 5)28-21(31)12-18-17(24)8- 9-20(30(18)33)27-13-22(25 ,26)19-7-2-3-10-29(19)32/ h2-11,14,27H,12-13H2,1H3, (H,28,31)/t14-/m1/s1; ISTCYDGUBPNUDF-CQSZACIVSA-N |
Clc1cccc(c1)C(NC(=O)Cc3[n+]([O-])c(NCC(F )(F)c2[n+]([O-])cccc2)ccc3Cl)C; C[C@H](c 1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC (c3cccc[n+]3[O-])(F)F)Cl; CC(c1cccc(c1)C l)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+ ]3[O-])(F)F)Cl; C[CH](NC(=O)Cc1c(Cl)ccc( NCC(F)(F)c2cccc[n+]2[O-])[n+]1[O-])c3ccc c(Cl)c3; C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F )(F)c2cccc[n+]2[O-])[n+]1[O-])c3cccc(Cl) c3 |
L17; 2-(3-CHLORO-6-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-1-OXIDOPYRIDIN-2-YL)-N-[1-(3-CHLOROPHENYL)ETHYL]ACETAMIDE |
| 31611 |  L18 DB08071 ZINC000053683354 |
1 | C18 H29 N | InChI=1S/C18H29N/c1-15(14 -18-11-7-8-12-19(18)3)13- 16(2)17-9-5-4-6-10-17/h4- 6,9-10,15-16,18H,7-8,11-1 4H2,1-3H3/t15-,16+,18-/m0 /s1; UEEAJOUBQAEABH-JZXOWHBKSA-N |
C[CH](C[CH](C)c1ccccc1)C[CH]2CCCCN2C; C[ C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2cccc c2; CC(CC1CCCCN1C)CC(C)c2ccccc2; C[C@@H] (C[C@@H](C)c1ccccc1)C[C@@H]2CCCCN2C; c1c cccc1C(C)CC(CC2N(C)CCCC2)C |
(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine |
| 31612 |  L19 CHEMBL3813892 ZINC000211275802 |
1 | C26 H24 N2 O3 | InChI=1S/C26H24N2O3/c1-31 -23-16-27-13-11-20(23)25- 21-15-19(17-7-8-17)9-10-2 2(21)28(14-12-24(29)30)26 (25)18-5-3-2-4-6-18/h2-6, 9-11,13,15-17H,7-8,12,14H 2,1H3,(H,29,30); XQDGPJKJSHQJFB-UHFFFAOYSA-N |
COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O )O)C5CC5; COc1cnccc1c2c3cc(ccc3n(CCC(O)= O)c2c4ccccc4)C5CC5; O=C(O)CCn1c5c(c(c1c2 ccccc2)c3c(cncc3)OC)cc(C4CC4)cc5 |
3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid |
| 31613 |  L1A ZINC000024801066 |
2 | C33 H50 N6 O7 S2 | InChI=1S/C33H50N6O7S2/c1- 22(2)17-29(40)30(41)26(18 -23-9-5-3-6-10-23)36-31(4 2)27(20-25-21-47-33(34)35 -25)37-32(43)28(19-24-11- 7-4-8-12-24)38-48(44,45)3 9-13-15-46-16-14-39/h3-5, 7-8,11-12,21-23,26-30,38, 40-41H,6,9-10,13-20H2,1-2 H3,(H2,34,35)(H,36,42)(H, 37,43)/t23-,26+,27-,28-,2 9-,30+/m0/s1; NZCOCZHRRKSGSQ-LUFJSDQJSA-N |
CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=C C1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](C c3ccccc3)NS(=O)(=O)N4CCOCC4)O)O; O=S(=O) (N1CCOCC1)NC(C(=O)NC(C(=O)NC(CC2CC=CCC2) C(O)C(O)CC(C)C)Cc3nc(sc3)N)Cc4ccccc4; CC (C)CC(C(C(CC1CCC=CC1)NC(=O)C(Cc2csc(n2)N )NC(=O)C(Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O) O; CC(C)C[CH](O)[CH](O)[CH](C[CH]1CCC=CC 1)NC(=O)[CH](Cc2csc(N)n2)NC(=O)[CH](Cc3c cccc3)N[S](=O)(=O)N4CCOCC4; CC(C)C[C@H]( O)[C@H](O)[C@@H](C[C@@H]1CCC=CC1)NC(=O)[ C@H](Cc2csc(N)n2)NC(=O)[C@H](Cc3ccccc3)N [S](=O)(=O)N4CCOCC4 |
N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE |
| 31614 |  L1B ZINC000024800772 |
2 | C19 H24 N5 O | InChI=1S/C19H23N5O/c1-3-1 5-17(18(20)23-19(21)22-15 )14-8-7-13-6-4-9-24(16(13 )12-14)10-5-11-25-2/h4,6- 9,12H,3,5,10-11H2,1-2H3,( H3,20,21,23)/p+1; AKHGQFJJDOXYFM-UHFFFAOYSA-O |
CCc1nc(N)nc(N)c1c2ccc3ccc[n+](CCCOC)c3c2 ; CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)C CCOC; n1c(c(c(nc1N)N)c3cc2[n+](cccc2cc3) CCCOC)CC |
7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM |
| 31615 |  L1C CHEMBL474678 ZINC000038995989 |
1 | C28 H22 Cl F2 N5 O4 | InChI=1S/C28H22ClF2N5O4/c 29-17-4-7-19(8-5-17)33-27 (39)36-16-28(40,21-10-6-1 8(30)13-22(21)31)14-23(36 )26(38)34-24-11-9-20(15-3 2-24)35-12-2-1-3-25(35)37 /h1-13,15,23,40H,14,16H2, (H,33,39)(H,32,34,38)/t23 -,28-/m1/s1; BGECSWGTDIXGJY-QDPGVEIFSA-N |
c1cc(ccc1NC(=O)N2CC(CC2C(=O)Nc3ccc(cn3)N 4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl; Clc1ccc( cc1)NC(=O)N3CC(O)(c2ccc(F)cc2F)CC3C(=O)N c4ncc(cc4)N5C=CC=CC5=O; O[C@@]1(C[C@@H]( N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cn3) N4C=CC=CC4=O)c5ccc(F)cc5F; O[C]1(C[CH](N (C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cn3)N 4C=CC=CC4=O)c5ccc(F)cc5F; c1cc(ccc1NC(=O )N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC= CC4=O)(c5ccc(cc5F)F)O)Cl |
(2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide |
| 31616 |  L1D CHEMBL515107 ZINC000038995990 |
1 | C29 H24 Cl F N4 O4 | InChI=1S/C29H24ClFN4O4/c3 0-20-9-11-21(12-10-20)32- 28(38)35-18-29(39,19-6-2- 1-3-7-19)17-25(35)27(37)3 3-24-14-13-22(16-23(24)31 )34-15-5-4-8-26(34)36/h1- 16,25,39H,17-18H2,(H,32,3 8)(H,33,37)/t25-,29-/m1/s 1; ZFOBYPBSJINJKI-VAVYLYDRSA-N |
c1ccc(cc1)C2(CC(N(C2)C(=O)Nc3ccc(cc3)Cl) C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O; c1ccc(c c1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl )C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O; O[C]1( C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3cc c(cc3F)N4C=CC=CC4=O)c5ccccc5; Clc1ccc(cc 1)NC(=O)N3CC(O)(c2ccccc2)CC3C(=O)Nc4c(F) cc(cc4)N5C=CC=CC5=O; O[C@@]1(C[C@@H](N(C 1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)N4 C=CC=CC4=O)c5ccccc5 |
(2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide |
| 31617 |  L1E CHEMBL1197798 ZINC000039300628 |
2 | C26 H19 Cl N8 | InChI=1S/C26H19ClN8/c1-15 -4-9-19-18(10-12-29-24(19 )34-17-7-5-16(27)6-8-17)2 1(15)35-25-20(3-2-11-28-2 5)22-23-26(32-13-30-22)33 -14-31-23/h2-14H,1H3,(H,2 8,35)(H,29,34)(H,30,31,32 ,33); KKVYYGGCHJGEFJ-UHFFFAOYSA-N |
Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4 )ccnc2Nc6ccc(cc6)Cl; Clc1ccc(cc1)Nc2nccc 3c2ccc(c3Nc6ncccc6c4ncnc5ncnc45)C; Cc1cc c2c(Nc3ccc(Cl)cc3)nccc2c1Nc4ncccc4c5ncnc 6nc[nH]c56 |
N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine; N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine |
| 31618 |  L1F |
1 | C20 H20 N2 O4 | InChI=1S/C20H20N2O4/c1-22 (11-12-26-18-10-6-5-9-17( 18)25-2)20(24)15-13-19(23 )21-16-8-4-3-7-14(15)16/h 3-10,13H,11-12H2,1-2H3,(H ,21,23); BIHUQYISOBUTJB-UHFFFAOYSA-N |
COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc2 1; COc1ccccc1OCCN(C)C(=O)C2=CC(=O)Nc3ccc cc23; CN(CCOc1ccccc1OC)C(=O)C2=CC(=O)Nc3 c2cccc3 |
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| 31619 |  L1G CHEMBL314627 |
2 | C33 H39 N9 O2 | InChI=1S/C33H39N9O2/c1-39 -14-16-41(17-15-39)23-9-1 1-24(12-10-23)42-32-29(31 (34)35-20-36-32)30(38-42) 22-8-13-25(28(19-22)44-3) 37-33(43)27-18-21-6-4-5-7 -26(21)40(27)2/h4-8,13,18 -20,23-24H,9-12,14-17H2,1 -3H3,(H,37,43)(H2,34,35,3 6)/t23-,24-; STVKLDUINKMZFE-RQNOJGIXSA-N |
Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(nc nc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N; COc1cc( ccc1NC(=O)c2cc3ccccc3n2C)c4nn([CH]5CC[CH ](CC5)N6CCN(C)CC6)c7ncnc(N)c47; O=C(c2cc 1ccccc1n2C)Nc3ccc(cc3OC)c5nn(c4ncnc(N)c4 5)C7CCC(N6CCN(CC6)C)CC7; COc1cc(ccc1NC(= O)c2cc3ccccc3n2C)c4nn([C@H]5CC[C@@H](CC5 )N6CCN(C)CC6)c7ncnc(N)c47 |
N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE |
| 31620 |  L1H CHEMBL4591327 |
1 | C23 H21 F N4 O2 | InChI=1S/C23H21FN4O2/c1-2 3(2,30)14-28-20-8-4-3-7-1 9(20)26-22(28)27-21(29)17 -10-16(11-18(24)12-17)15- 6-5-9-25-13-15/h3-13,30H, 14H2,1-2H3,(H,26,27,29); DJZWMTBYRCKZMQ-UHFFFAOYSA-N |
CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c 4cccnc4)O; CC(C)(O)Cn1c(NC(=O)c2cc(F)cc( c2)c3cccnc3)nc4ccccc14 |
3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide |
| 31621 |  L1J CHEMBL68908 ZINC000000404256 |
0 | C10 H13 N5 O4 | InChI=1S/C10H13N5O4/c11-1 0-13-8-7(9(18)14-10)12-3- 15(8)6-1-4(17)5(2-16)19-6 /h3-6,16-17H,1-2H2,(H3,11 ,13,14,18)/t4-,5+,6+/m0/s 1; YKBGVTZYEHREMT-KVQBGUIXSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](C O)O3; c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO )O)N=C(NC2=O)N; c1nc2c(n1C3CC(C(O3)CO)O) N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3 C[C@H](O)[C@@H](CO)O3 |
2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one |
| 31622 |  L1K CHEMBL4434788 |
1 | C23 H22 N4 O2 | InChI=1S/C23H22N4O2/c1-23 (2,29)15-27-20-11-7-6-10- 18(20)25-22(27)26-21(28)1 7-12-13-24-19(14-17)16-8- 4-3-5-9-16/h3-14,29H,15H2 ,1-2H3,(H,25,26,28); UDMIRQWCOXFLHS-UHFFFAOYSA-N |
CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc 4ccccc14; CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc nc(c3)c4ccccc4)O |
~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide |
| 31623 |  L1L DB03111 |
0 | C6 H14 N O8 P | InChI=1S/C6H14NO8P/c7-3-5 (10)4(9)2(1-8)14-6(3)15-1 6(11,12)13/h2-6,8-10H,1,7 H2,(H2,11,12,13)/t2-,3-,4 -,5-,6-/m1/s1; YMJBYRVFGYXULK-QZABAPFNSA-N |
N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O )(O)=O; N[C@@H]1[C@@H](O)[C@H](O)[C@@H]( CO)O[C@@H]1O[P](O)(O)=O; C([C@@H]1[C@H]( [C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O ; C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O |
2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose; [(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate; 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose; 2-amino-2-deoxy-1-O-phosphono-D-glucose; 2-amino-2-deoxy-1-O-phosphono-glucose |
| 31624 |  L1M |
4 | C8 H19 N2 O2 P | InChI=1S/C8H19N2O2P/c1-5- 10(6-2)8(4)9-13(11)12-7-3 /h13H,5-7H2,1-4H3/b9-8+; OJNAFPOCQGTUIK-CMDGGOBGSA-N |
CCO[PH](=O)N=C(C)N(CC)CC; C(C)N(/C(C)=N/ P(OCC)=O)CC; CCN(CC)C(=NP(=O)OCC)C; CCN( CC)/C(=N/[P@H](=O)OCC)/C; CCO[P@@H](=O)N =C(C)N(CC)CC |
ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate |
| 31625 |  L1N ZINC000100992764 |
2 | C21 H15 N5 O3 S2 | InChI=1S/C21H15N5O3S2/c27 -21-15(19-16(25-21)8-9-17 -20(19)30-12-24-17)11-23- 13-4-6-14(7-5-13)31(28,29 )26-18-3-1-2-10-22-18/h1- 12,25,27H,(H,22,26)/b23-1 1+; CDNIYBIKHDLGMT-FOKLQQMPSA-N |
c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Cc3c4c(c cc5c4scn5)[nH]c3O; Oc1[nH]c2ccc3ncsc3c2c 1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5; c1cc nc(c1)NS(=O)(=O)c2ccc(cc2)/N=C/c3c4c(ccc 5c4scn5)[nH]c3O |
4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide |
| 31626 |  L1O CHEMBL401484 ZINC000016052609 |
1 | C9 H9 Cl2 N O3 | InChI=1S/C9H9Cl2NO3/c10-6 -3-5(9(13)14)4-7(11)8(6)1 5-2-1-12/h3-4H,1-2,12H2,( H,13,14); BCUWXCINVFOVDJ-UHFFFAOYSA-N |
c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O; NCCOc1c(Cl )cc(cc1Cl)C(O)=O; Clc1cc(cc(Cl)c1OCCN)C( =O)O |
4-(2-aminoethoxy)-3,5-dichlorobenzoic acid |
| 31627 |  L1P DB03402 ZINC000058638721 |
0 | C43 H89 O6 P | InChI=1S/C43H89O6P/c1-35( 2)17-11-19-37(5)21-13-23- 39(7)25-15-27-41(9)29-31- 47-33-43(34-49-50(44,45)4 6)48-32-30-42(10)28-16-26 -40(8)24-14-22-38(6)20-12 -18-36(3)4/h35-43H,11-34H 2,1-10H3,(H2,44,45,46)/t3 7-,38-,39-,40-,41-,42-,43 +/m1/s1; UKQGAMWGTOTQPC-ALOLAALWSA-N |
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)( O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C; O=P(O )(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)CO CCC(C)CCCC(C)CCCC(C)CCCC(C)C; CC(C)CCC[C H](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P]( O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CC CC(C)C; CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC [C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H] (C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C; CC(C) CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC [C@@H](CO[P](O)(O)=O)OCC[C@H](C)CCC[C@H] (C)CCC[C@H](C)CCCC(C)C |
3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL; 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE |
| 31628 |  L1Q |
2 | C9 H9 F4 N O2 S | InChI=1S/C9H9F4NO2S/c1-2- 3-4-5(10)7(12)9(17(14,15) 16)8(13)6(4)11/h2-3H2,1H3 ,(H2,14,15,16); QCRSPYSAXKPYLP-UHFFFAOYSA-N |
CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F; CCCc1 c(F)c(F)c(c(F)c1F)[S](N)(=O)=O |
2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide |
| 31629 |  L1R CHEMBL398428 DB08072 ZINC000028966930 |
1 | C18 H20 Cl2 N2 O3 | InChI=1S/C18H20Cl2N2O3/c1 -11(2)25-14-5-3-4-13(10-1 4)22-18(23)12-8-15(19)17( 16(20)9-12)24-7-6-21/h3-5 ,8-11H,6-7,21H2,1-2H3,(H, 22,23); AYKUIRSGEMLIFT-UHFFFAOYSA-N |
CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCC N)Cl; CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN) c(Cl)c2)c1; Clc1cc(cc(Cl)c1OCCN)C(=O)Nc2 cccc(OC(C)C)c2 |
4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE |
| 31630 |  L1S |
5 | C25 H23 N7 O4 | InChI=1S/C25H23N7O4/c1-36 -24(35)17-13-27-25(28-14- 17)32-11-9-31(10-12-32)23 (34)16-7-5-15(6-8-16)22-2 9-19-4-2-3-18(21(26)33)20 (19)30-22/h2-8,13-14H,9-1 2H2,1H3,(H2,26,33)(H,29,3 0); ASPUHGRKEUIGTD-UHFFFAOYSA-N |
O=C(c5c4nc(c3ccc(C(N2CCN(c1ncc(cn1)C(OC) =O)CC2)=O)cc3)nc4ccc5)N; COC(=O)c1cnc(nc 1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(ccc c5n4)C(=O)N; COC(=O)c1cnc(nc1)N2CCN(CC2) C(=O)c3ccc(cc3)c4[nH]c5c(cccc5C(N)=O)n4 |
methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate |
| 31631 |  L1T |
5 | C12 H12 N2 S | InChI=1S/C12H12N2S/c1-8-7 -10(12(13)14)15-11(8)9-5- 3-2-4-6-9/h2-7H,1H3,(H3,1 3,14); ZXOKKHBVRCNRTH-UHFFFAOYSA-N |
Cc1cc(sc1c2ccccc2)C(=N)N; Cc1cc(sc1c2ccc cc2)C(N)=N; [H]/N=C(\c1cc(c(s1)c2ccccc2) C)/N |
4-methyl-5-phenyl-thiophene-2-carboximidamide |
| 31632 |  L1U |
4 | C12 H15 As N6 O S2 | InChI=1S/C12H15AsN6OS2/c1 4-10-17-11(15)19-12(18-10 )16-8-3-1-7(2-4-8)13-21-6 -9(5-20)22-13/h1-4,9,20H, 5-6H2,(H5,14,15,16,17,18, 19)/t9-,13+/m1/s1; JCYZMTMYPZHVBF-RNCFNFMXSA-N |
c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3SC[C@H](S3 )CO; Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](C O)S3)n1; c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3S CC(S3)CO; Nc1nc(N)nc(Nc2ccc(cc2)[As@]3SC [C@@H](CO)S3)n1 |
[(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol |
| 31633 |  L1V |
8 | C15 H16 O5 | InChI=1S/C15H16O5/c16-13( 17)8-11-2-1-3-12(11)14(18 )9-4-6-10(7-5-9)15(19)20/ h4-7,11-12H,1-3,8H2,(H,16 ,17)(H,19,20)/t11-,12+/m0 /s1; AIBKYDBZFDNIIN-NWDGAFQWSA-N |
c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C( =O)O; OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2 )C(O)=O; c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C( =O)O; OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc( cc2)C(O)=O; C1CC(C(CC(=O)O)C1)C(c2ccc(cc 2)C(O)=O)=O |
4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid |
| 31634 |  L1W |
1 | C39 H38 N6 O4 | InChI=1S/C39H38N6O4/c1-2- 35(47)40-29-14-17-32-34(2 3-29)45(39(49)42-32)30-18 -20-44(21-19-30)24-26-8-1 2-28(13-9-26)36-37(27-6-4 -3-5-7-27)43-38(48)33(41- 36)22-25-10-15-31(46)16-1 1-25/h3-17,23,30,46H,2,18 -22,24H2,1H3,(H,40,47)(H, 42,49)(H,43,48); LMPCSGMPKCSYTR-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)C c4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O) c7ccccc7; CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC 3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(O)c c6)c7ccccc7)c2c1 |
~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
| 31635 |  L1X CHEMBL3545307 DB12381 ZINC000095926668 |
2 | C30 H22 F2 N6 O3 | InChI=1S/C30H22F2N6O3/c1- 17-3-9-23(30(40)38(17)22- 7-4-20(31)5-8-22)29(39)36 -21-6-10-27(25(32)12-21)4 1-28-11-18-16-35-37(2)26( 18)13-24(28)19-14-33-34-1 5-19/h3-16H,1-2H3,(H,33,3 4)(H,36,39); QHADVLVFMKEIIP-UHFFFAOYSA-N |
CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc( c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C; Cn1n cc2cc(Oc3ccc(NC(=O)C4=CC=C(C)N(C4=O)c5cc c(F)cc5)cc3F)c(cc12)c6c[nH]nc6; Fc1ccc(c c1)N2C(=CC=C(C2=O)C(=O)Nc6ccc(Oc3cc5c(cc 3c4cnnc4)n(nc5)C)c(F)c6)C |
N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide |
| 31636 |  L1Y |
8 | C15 H16 O5 | InChI=1S/C15H16O5/c16-13( 17)8-11-2-1-3-12(11)14(18 )9-4-6-10(7-5-9)15(19)20/ h4-7,11-12H,1-3,8H2,(H,16 ,17)(H,19,20)/t11-,12+/m1 /s1; AIBKYDBZFDNIIN-NEPJUHHUSA-N |
OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)= O; c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O )C(=O)O; OC(=O)C[C@H]1CCC[C@@H]1C(=O)c2c cc(cc2)C(O)=O; c1cc(ccc1C(=O)C2CCCC2CC(= O)O)C(=O)O; C1(C(CCC1)CC(=O)O)C(c2ccc(cc 2)C(O)=O)=O |
4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid |
| 31637 |  L1Z |
1 | C33 H34 N6 O3 | InChI=1S/C33H34N6O3/c1-3- 29(40)35-25-13-14-27-28(1 9-25)39(33(42)36-27)26-15 -17-38(18-16-26)20-22-9-1 1-24(12-10-22)31-30(23-7- 5-4-6-8-23)34-21(2)32(41) 37-31/h4-14,19,26H,3,15-1 8,20H2,1-2H3,(H,35,40)(H, 36,42)(H,37,41); HCHZPUXPCDNSSQ-UHFFFAOYSA-N |
CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(c c4)C5=C(N=C(C)C(=O)N5)c6ccccc6)c2c1; CCC (=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4c cc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6 |
~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
| 31638 |  L20 CHEMBL379300 DB08073 ZINC000016052239 |
5 | C24 H23 N5 O | InChI=1S/C24H23N5O/c1-15- 22-10-16(6-7-24(22)29-28- 15)17-9-20(13-26-11-17)30 -14-19(25)8-18-12-27-23-5 -3-2-4-21(18)23/h2-7,9-13 ,19,27H,8,14,25H2,1H3,(H, 28,29)/t19-/m0/s1; YWTBGJGMTBHQTM-IBGZPJMESA-N |
Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4c[ nH]c5ccccc45)c3; Cc1c2cc(ccc2[nH]n1)c3cc (cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N; Cc1n[ nH]c2ccc(cc12)c3cncc(OC[C@@H](N)Cc4c[nH] c5ccccc45)c3; Cc1c2cc(ccc2[nH]n1)c3cc(cn c3)OCC(Cc4c[nH]c5c4cccc5)N; n2c(c1cc(ccc 1n2)c5cc(OCC(N)Cc4c3ccccc3nc4)cnc5)C |
(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE |
| 31639 |  L21 DB08074 ZINC000000002209 |
1 | C10 H13 N5 | InChI=1S/C10H13N5/c1-7(2) 3-4-15-6-14-9(11)8-10(15) 13-5-12-8/h3,5-6H,4,11H2, 1-2H3; BEPGTHDUUROBHM-UHFFFAOYSA-N |
CC(=CCn1cnc(c-2ncnc12)N)C; CC(C)=CCn1cnc (N)c2ncnc12; N=1C2=C(N=CN(C2=NC=1)C\C=C( /C)C)N |
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine |
| 31640 |  L22 DB08075 ZINC000034099696 |
2 | C7 H7 N5 S | InChI=1S/C7H7N5S/c8-6-10- 2-1-4(11-6)5-3-13-7(9)12- 5/h1-3H,(H2,9,12)(H2,8,10 ,11); FHERIFNAOMUFRM-UHFFFAOYSA-N |
n1c(nccc1c2nc(sc2)N)N; c1cnc(nc1c2csc(n2 )N)N; Nc1scc(n1)c2ccnc(N)n2 |
4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine |
| 31641 |  L23 CHEMBL1233922 DB08076 ZINC000002557486 |
2 | C15 H13 Cl2 N5 | InChI=1S/C15H13Cl2N5/c1-9 -20-14(13-5-6-19-15(18)21 -13)8-22(9)7-10-11(16)3-2 -4-12(10)17/h2-6,8H,7H2,1 H3,(H2,18,19,21); CKSSZTMRRVJNNG-UHFFFAOYSA-N |
Clc1c(c(Cl)ccc1)Cn2cc(nc2C)c3nc(ncc3)N; Cc1nc(cn1Cc2c(Cl)cccc2Cl)c3ccnc(N)n3; Cc 1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N |
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine |
| 31642 |  L24 DB04322 ZINC000001637602 |
1 | C21 H25 N5 O6 | InChI=1S/C21H25N5O6/c22-2 1-25-17-14(19(30)26-21)9- 12(10-23-17)2-1-11-3-5-13 (6-4-11)18(29)24-15(20(31 )32)7-8-16(27)28/h3-6,12, 15H,1-2,7-10H2,(H,24,29)( H,27,28)(H,31,32)(H4,22,2 3,25,26,30)/t12-,15-/m0/s 1; ZUQBAQVRAURMCL-WFASDCNBSA-N |
c1cc(ccc1CCC2Cc3c(nc(nc3O)N)NC2)C(=O)NC( CCC(=O)O)C(=O)O; O=C(O)C(NC(=O)c1ccc(cc1 )CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O; Nc1nc( O)c2C[CH](CCc3ccc(cc3)C(=O)N[CH](CCC(O)= O)C(O)=O)CNc2n1; Nc1nc(O)c2C[C@H](CCc3cc c(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n 1; c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C (=O)N[C@@H](CCC(=O)O)C(=O)O |
[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID; LY249543 |
| 31643 |  L25 CHEMBL4762147 |
1 | C22 H27 N3 O6 S | InChI=1S/C22H27N3O6S/c1-1 4-20-16(5-3-4-6-18(20)26) 21(23-14)22(27)24-17-13-1 5(7-8-19(17)30-2)32(28,29 )25-9-11-31-12-10-25/h7-8 ,13,23H,3-6,9-12H2,1-2H3, (H,24,27); DDHSJBNVVYBOFE-UHFFFAOYSA-N |
Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(= O)N4CCOCC4)CCCCC2=O; COc1ccc(cc1NC(=O)c2 [nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOC C4 |
~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
| 31644 |  L26 CHEMBL3786260 ZINC000076516618 |
1 | C18 H21 N3 O4 | InChI=1S/C18H21N3O4/c1-4- 14-16(11(3)22)10(2)20-17( 14)18(24)21-12-6-5-7-13(8 -12)25-9-15(19)23/h5-8,20 H,4,9H2,1-3H3,(H2,19,23)( H,21,24); CSXFLOZZMPSMKL-UHFFFAOYSA-N |
CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C )C(=O)C; CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2 cccc(OCC(N)=O)c2; c1(cc(ccc1)NC(c2c(c(C( C)=O)c(C)n2)CC)=O)OCC(N)=O |
4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide |
| 31645 |  L27 ZINC000100361354 |
2 | C35 H37 N3 O6 | InChI=1S/C35H37N3O6/c39-3 1(30(17-23-9-3-1-4-10-23) 38-34(42)44-25-15-16-43-2 2-25)19-35(18-24-11-5-2-6 -12-24)32(40)29(21-37-35) 28-20-36-33(41)27-14-8-7- 13-26(27)28/h1-14,21,25,2 8,30-31,37,39H,15-20,22H2 ,(H,36,41)(H,38,42)/t25-, 28+,30-,31-,35-/m0/s1; BFWPVLSACSESSM-VHGZSVTHSA-N |
O[C@@H](C[C@]1(Cc2ccccc2)NC=C([C@@H]3CNC (=O)c4ccccc34)C1=O)[C@H](Cc5ccccc5)NC(=O )O[C@H]6CCOC6; c1ccc(cc1)C[C@@H]([C@H](C [C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc 4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6; c1ccc( cc1)CC(C(CC2(C(=O)C(=CN2)C3CNC(=O)c4c3cc cc4)Cc5ccccc5)O)NC(=O)OC6CCOC6; O[CH](C[ C]1(Cc2ccccc2)NC=C([CH]3CNC(=O)c4ccccc34 )C1=O)[CH](Cc5ccccc5)NC(=O)O[CH]6CCOC6; O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C (=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6 |
{1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER; LDC271 INHIBITOR |
| 31646 |  L28 CHEMBL3785713 ZINC000263620293 |
1 | C19 H26 N4 O5 S | InChI=1S/C19H26N4O5S/c1-5 -13-16(18(20)25)11(4)21-1 7(13)19(26)22-14-10-12(8- 9-15(14)24)29(27,28)23(6- 2)7-3/h8-10,21,24H,5-7H2, 1-4H3,(H2,20,25)(H,22,26); BXFSSYQFFSWQEA-UHFFFAOYSA-N |
CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH] c(C)c(C(N)=O)c2CC)c1; CCc1c(c([nH]c1C(=O )Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N; c1cc(cc(c1O)NC(c2c(c(C(N)=O)c(C)n2)CC)=O )S(N(CC)CC)(=O)=O |
N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide |
| 31647 |  L29 CHEMBL3891386 ZINC000150344349 |
8 | C46 H52 N6 O10 S2 | InChI=1S/C46H52N6O10S2/c1 -31(2)41(45(55)49-57)51(6 3(59,60)39-22-18-35(19-23 -39)33-12-7-5-8-13-33)28- 26-47-43(53)37-16-11-17-3 8(30-37)44(54)48-27-29-52 (42(32(3)4)46(56)50-58)64 (61,62)40-24-20-36(21-25- 40)34-14-9-6-10-15-34/h5- 25,30-32,41-42,57-58H,26- 29H2,1-4H3,(H,47,53)(H,48 ,54)(H,49,55)(H,50,56)/t4 1-,42-/m1/s1; JPMXJRBHCOULJI-NCRNUEESSA-N |
O=S(=O)(N(C(C(=O)NO)C(C)C)CCNC(=O)c3cccc (C(=O)NCCN(C(C(=O)NO)C(C)C)S(=O)(=O)c2cc c(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5; CC (C)[CH](N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C H](C(C)C)C(=O)NO)[S](=O)(=O)c2ccc(cc2)c3 ccccc3)[S](=O)(=O)c4ccc(cc4)c5ccccc5)C(= O)NO; CC(C)C(C(=O)NO)N(CCNC(=O)c1cccc(c1 )C(=O)NCCN(C(C(C)C)C(=O)NO)S(=O)(=O)c2cc c(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5cccc c5; CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc( c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(= O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4) c5ccccc5; CC(C)[C@@H](N(CCNC(=O)c1cccc(c 1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)[S](=O)( =O)c2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccc(c c4)c5ccccc5)C(=O)NO |
N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name) |
| 31648 |  L2A ZINC000058638722 |
0 | C30 H51 N5 O8 | InChI=1S/C30H51N5O8/c1-18 (2)15-20-24(38)33-21(16-1 9(3)4)26(40)35-30(6,28(42 )43)14-12-10-8-7-9-11-13- 29(5,31)27(41)34-22(17-23 (36)37)25(39)32-20/h7-8,1 8-22H,9-17,31H2,1-6H3,(H, 32,39)(H,33,38)(H,34,41)( H,35,40)(H,36,37)(H,42,43 )/b8-7+/t20-,21-,22-,29-, 30-/m0/s1; LHANMAUMFDZWEI-WDKISMIESA-N |
O=C(O)C1(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C (N)(C)CCCC=CCCC1)CC(=O)O)CC(C)C)CC(C)C)C ; CC(C)C[CH]1NC(=O)[CH](CC(O)=O)NC(=O)[C ](C)(N)CCCC=CCCC[C](C)(NC(=O)[CH](CC(C)C )NC1=O)C(O)=O; CC(C)CC1C(=O)NC(CCCC=CCCC C(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC(=O)O )(C)N)(C)C(=O)O; CC(C)C[C@@H]1NC(=O)[C@H ](CC(O)=O)NC(=O)[C@@](C)(N)CCC\C=C\CCC[C @](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(O)=O; C C(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C( =O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC( =O)O)(C)N)(C)C(=O)O |
(2S,5S,8S,11S,15E,20S)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid |
| 31649 |  L2B |
2 | C9 H13 N2 O8 P | InChI=1S/C9H13N2O8P/c12-6 -3-5(4-18-20(15,16)17)19- 8(6)11-2-1-7(13)10-9(11)1 4/h1-2,5-6,8,12H,3-4H2,(H ,10,13,14)(H2,15,16,17)/t 5-,6+,8+/m0/s1; SEOHEWZQAGEAGZ-SHYZEUOFSA-N |
C1C(OC(C1O)N2C=CC(=O)NC2=O)COP(=O)(O)O; O[C@@H]1C[C@@H](CO[P](O)(O)=O)O[C@H]1N2C =CC(=O)NC2=O; C1[C@H](O[C@H]([C@@H]1O)N2 C=CC(=O)NC2=O)COP(=O)(O)O; O[CH]1C[CH](C O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
3'-DEOXYURIDINE-5'-MONOPHOSPHATE; [(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 31650 |  L2C ZINC000058638724 |
0 | C24 H46 O5 | InChI=1S/C24H46O5/c1-3-5- 7-9-11-12-13-15-16-18-23( 26)28-21-22(20-25)29-24(2 7)19-17-14-10-8-6-4-2/h22 ,25H,3-21H2,1-2H3/t22-/m0 /s1; MYFVXYUACRBWGD-QFIPXVFZSA-N |
CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC ; CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC; O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC; CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC C |
(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE |
| 31651 |  L2D |
2 | C22 H26 Fe N4 O4 | InChI=1S/C22H28N4O4.Fe/c2 7-21(28)15-25(13-17-7-3-5 -11-23-17)19-9-1-2-10-20( 19)26(16-22(29)30)14-18-8 -4-6-12-24-18;/h3-8,11-12 ,19-20H,1-2,9-10,13-16H2, (H,27,28)(H,29,30);/q;+2/ p-2/t19-,20-;/m1./s1; RHFVCFXUQWXGET-GZJHNZOKSA-L |
C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]36 7([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4 )C=CC=C5; C1CCC2C(C1)[N]34CC5=[N]([Fe]36 7([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4 )C=CC=C5; O=C1CN|23Cc4ccccn4|[Fe]|5|6|2( O1)OC(=O)CN|5(Cc7ccccn|67)[C@@H]8CCCC[C@ @H]38; O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1 )C3CCCCC3N7(Cc4ccccn45)C6; O=C1CN|23Cc4c cccn4|[Fe]|5|6|2(O1)OC(=O)CN|5(Cc7ccccn| 67)[CH]8CCCC[CH]38 |
{2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron; Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine |
| 31652 |  L2E CHEMBL223256 |
0 | C25 H28 O6 | InChI=1S/C25H28O6/c1-14(2 )5-4-6-15(3)7-9-17-19(27) 12-23-24(25(17)30)21(29)1 3-22(31-23)16-8-10-18(26) 20(28)11-16/h5,7-8,10-12, 22,26-28,30H,4,6,9,13H2,1 -3H3/b15-7+/t22-/m0/s1; XCYSQFHYFNWYFP-CEMXSPGASA-N |
CC(C)=CCCC(C)=CCc1c(O)cc2O[CH](CC(=O)c2c 1O)c3ccc(O)c(O)c3; CC(=CCCC(=CCc1c(cc2c( c1O)C(=O)CC(O2)c3ccc(c(c3)O)O)O)C)C; CC( =CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c 3ccc(c(c3)O)O)O)/C)C; CC(C)=CCC\C(C)=C\C c1c(O)cc2O[C@@H](CC(=O)c2c1O)c3ccc(O)c(O )c3; O=C2c3c(O)c(c(O)cc3OC(c1ccc(O)c(O)c 1)C2)C\C=C(/C)CC\C=C(/C)C |
(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one |
| 31653 |  L2F |
4 | C27 H31 N3 O4 S | InChI=1S/C27H31N3O4S/c1-3 -18(2)26(30-35(33,34)25-1 4-8-10-19-9-4-5-12-23(19) 25)27(32)29-21(17-31)15-2 0-16-28-24-13-7-6-11-22(2 0)24/h4-14,16,18,21,26,28 ,30-31H,3,15,17H2,1-2H3,( H,29,32)/t18-,21-,26-/m0/ s1; WGQRDHFZEVLIFE-JCWFFFCVSA-N |
CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12 )C(=O)N[CH](CO)Cc3c[nH]c4ccccc34; CC[C@H ](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc 2)CO)NS(=O)(=O)c3cccc4c3cccc4; CC[C@H](C )[C@H](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N [C@H](CO)Cc3c[nH]c4ccccc34; CCC(C)C(C(=O )NC(Cc1c[nH]c2c1cccc2)CO)NS(=O)(=O)c3ccc c4c3cccc4 |
N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol; (2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide |
| 31654 |  L2G CHEMBL197603 |
2 | C34 H39 N9 O3 | InChI=1S/C34H39N9O3/c1-21 (44)41-14-16-42(17-15-41) 24-9-11-25(12-10-24)43-33 -30(32(35)36-20-37-33)31( 39-43)23-8-13-26(29(19-23 )46-3)38-34(45)28-18-22-6 -4-5-7-27(22)40(28)2/h4-8 ,13,18-20,24-25H,9-12,14- 17H2,1-3H3,(H,38,45)(H2,3 5,36,37)/t24-,25-; ZMNWFTYYYCSSTF-SOAUALDESA-N |
COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn([CH ]5CC[CH](CC5)N6CCN(CC6)C(C)=O)c7ncnc(N)c 47; O=C(c2cc1ccccc1n2C)Nc3ccc(cc3OC)c5nn (c4ncnc(N)c45)C7CCC(N6CCN(C(=O)C)CC6)CC7 ; CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c 5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4 )N; COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn ([C@H]5CC[C@@H](CC5)N6CCN(CC6)C(C)=O)c7n cnc(N)c47 |
N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE |
| 31655 |  L2H ZINC000098209094 |
0 | C32 H34 N10 O8 | InChI=1S/C32H34N10O8/c1-1 5-23-31-38-20(12-48-31)26 (44)35-17(7-3-5-9-33)27-3 9-22(13-46-27)29-40-21(14 -47-29)28-37-19(11-45-28) 25(43)36-18(8-4-6-10-34)3 0-41-24(16(2)49-30)32(42- 23)50-15/h11-14,17-18H,3- 10,33-34H2,1-2H3,(H,35,44 )(H,36,43)/t17-,18-/m0/s1; VFOYOVBIUSPROZ-ROUUACIJSA-N |
Cc1oc2nc1c3oc(C)c(n3)c4occ(n4)C(=O)N[CH] (CCCCN)c5occ(n5)c6occ(n6)c7occ(n7)C(=O)N [CH]2CCCCN; Cc1oc2nc1c3oc(C)c(n3)c4occ(n 4)C(=O)N[C@@H](CCCCN)c5occ(n5)c6occ(n6)c 7occ(n7)C(=O)N[C@H]2CCCCN; Cc1c-2nc(o1)- c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n 5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN) CCCCN)C; Cc1c-2nc(o1)-c3c(oc(n3)C(NC(=O) c4coc(n4)-c5coc(n5)-c6coc(n6)C(NC(=O)c7c oc2n7)CCCCN)CCCCN)C; O=C5NC(c1nc(c(o1)C) c2oc(c(n2)c3occ(n3)C(=O)NC(c7nc(c4nc(co4 )c6nc5co6)co7)CCCCN)C)CCCCN |
(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione; Telomestatin derivative |
| 31656 |  L2I |
1 | C16 H19 N3 O | InChI=1S/C16H19N3O/c1-17- 11-9-15(13-6-3-2-4-7-13)1 6(20)19-14-8-5-10-18-12-1 4/h2-8,10,12,15,17H,9,11H 2,1H3,(H,19,20)/t15-/m0/s 1; AMGHFKIRDXLNJU-HNNXBMFYSA-N |
CNCC[CH](C(=O)Nc1cccnc1)c2ccccc2; O=C(Nc 1cccnc1)C(CCNC)c1ccccc1; CNCC[C@@H](c1cc ccc1)C(=O)Nc2cccnc2; CNCCC(c1ccccc1)C(=O )Nc2cccnc2; CNCC[C@H](C(=O)Nc1cccnc1)c2c cccc2 |
(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide |
| 31657 |  L2J CHEMBL4450419 |
2 | C25 H23 F3 N2 O5 S | InChI=1S/C25H23F3N2O5S/c2 6-25(27,28)35-16-12-14-17 (15-13-16)36(32,33)29-18- 6-5-9-21(24(18)31)30-19-7 -1-3-10-22(19)34-23-11-4- 2-8-20(23)30/h1-4,7-8,10- 15,18,21,24,29,31H,5-6,9H 2/t18-,21+,24+/m1/s1; WGKGADVPRVLHHZ-ZHRMCQFGSA-N |
c1ccc2c(c1)N(c3ccccc3O2)C4CCCC(C4O)NS(=O )(=O)c5ccc(cc5)OC(F)(F)F; O[CH]1[CH](CCC [CH]1N2c3ccccc3Oc4ccccc24)N[S](=O)(=O)c5 ccc(OC(F)(F)F)cc5; c1ccc2c(c1)N(c3ccccc3 O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5c cc(cc5)OC(F)(F)F; O[C@H]1[C@@H](CCC[C@@H ]1N2c3ccccc3Oc4ccccc24)N[S](=O)(=O)c5ccc (OC(F)(F)F)cc5; c3cc2N(c1ccccc1Oc2cc3)C4 CCCC(C4O)NS(c5ccc(cc5)OC(F)(F)F)(=O)=O |
N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide |
| 31658 |  L2K ZINC000000092395 |
3 | C11 H10 F2 N4 | InChI=1S/C11H10F2N4/c12-8 -2-1-7(5-9(8)13)10-6-17-4 -3-14-11(17)16-15-10/h1-2 ,5H,3-4,6H2,(H,14,16); HQCSFWFWWSDEFP-UHFFFAOYSA-N |
Fc1ccc(cc1F)C2=NNC3=NCCN3C2; c1cc(c(cc1C 2=NNC3=NCCN3C2)F)F |
3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine |
| 31659 |  L2L CHEMBL1741886 ZINC000008034708 |
30 | C H5 N O3 S | InChI=1S/CH5NO3S/c2-1-6(3 ,4)5/h1-2H2,(H,3,4,5); OBESRABRARNZJB-UHFFFAOYSA-N |
C(N)S(=O)(=O)O; NCS(=O)(=O)O; NC[S](O)(= O)=O |
aminomethanesulfonic acid |
| 31660 |  L2M |
2 | C21 H27 Fe N4 O2 | InChI=1S/C21H28N4O2.Fe/c1 -24(14-17-8-4-6-12-22-17) 19-10-2-3-11-20(19)25(16- 21(26)27)15-18-9-5-7-13-2 3-18;/h4-9,12-13,19-20H,2 -3,10-11,14-16H2,1H3,(H,2 6,27);/q;+3/p-1/t19-,20-; /m0./s1; QCJUYONJTMUVGL-FKLPMGAJSA-M |
C[N]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC= C6C[N]4(CC(=O)O5)C7C2CCCC7; CN12|[Fe++]| 3|4(OC(=O)CN|3(Cc5ccccn|45)[CH]6CCCC[CH] 16)|n7ccccc7C2; C[N@]12CC3=CC=CC=[N]3[Fe +2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@ H]7[C@@H]2CCCC7; CN12|[Fe++]|3|4(OC(=O)C N|3(Cc5ccccn|45)[C@H]6CCCC[C@H]16)|n7ccc cc7C2; O=C2O[Fe+2]576n1ccccc1CN7(C2)C3CC CCC3N6(C)Cc4ccccn45 |
{(R)-N-[(1S,2S)-2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}cyclohexyl]-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+) |
| 31661 |  L2N CHEMBL4762202 |
1 | C23 H30 N4 O5 S | InChI=1S/C23H30N4O5S/c1-1 5-21-17(6-4-5-7-19(21)28) 22(24-15)23(29)25-18-14-1 6(8-9-20(18)32-3)33(30,31 )27-12-10-26(2)11-13-27/h 8-9,14,24H,4-7,10-13H2,1- 3H3,(H,25,29); AFNYOROEWXANDC-UHFFFAOYSA-N |
Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(= O)N4CCN(CC4)C)CCCCC2=O; COc1ccc(cc1NC(=O )c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4C CN(C)CC4 |
~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
| 31662 |  L2O ZINC000005760037 |
0 | C7 H15 N O3 | InChI=1S/C7H15NO3/c1-4(2) 3-5(8)6(9)7(10)11/h4-6,9H ,3,8H2,1-2H3,(H,10,11)/t5 -,6+/m1/s1; GZLMFCWSEKVVGO-RITPCOANSA-N |
O=C(O)C(O)C(N)CC(C)C; CC(C)C[C@@H](N)[C@ H](O)C(O)=O; CC(C)CC(C(C(=O)O)O)N; CC(C) C[C@H]([C@@H](C(=O)O)O)N; CC(C)C[CH](N)[ CH](O)C(O)=O |
(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid |
| 31663 |  L2P DB03646 ZINC000058638725 |
0 | C43 H88 O3 | InChI=1S/C43H88O3/c1-35(2 )17-11-19-37(5)21-13-23-3 9(7)25-15-27-41(9)29-31-4 5-34-43(33-44)46-32-30-42 (10)28-16-26-40(8)24-14-2 2-38(6)20-12-18-36(3)4/h3 5-44H,11-34H2,1-10H3/t37- ,38-,39-,40-,41-,42-,43-/ m1/s1; ISDBCJSGCHUHFI-UMZPFTBHSA-N |
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C )CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC [C@H](C)CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCC C(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C )C; CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)C COC[CH](CO)OCC[CH](C)CCC[CH](C)CCC[CH](C )CCCC(C)C; OCC(OCCC(CCCC(CCCC(C)CCCC(C)C )C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
2,3-DI-PHYTANYL-GLYCEROL; 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL |
| 31664 |  L2Q CHEMBL4588417 |
1 | C40 H54 N2 O8 | InChI=1S/C40H54N2O8/c1-46 -37-18-14-28(26-38(37)47- 2)13-17-36(29-8-7-9-30(27 -29)49-25-22-41-20-23-48- 24-21-41)50-40(45)34-12-5 -6-19-42(34)39(44)33-15-1 6-35(43)32-11-4-3-10-31(3 2)33/h7-9,14,18,26-27,31- 34,36H,3-6,10-13,15-17,19 -25H2,1-2H3/t31-,32-,33-, 34+,36-/m1/s1; UGIVXHVIZXJHDG-YGYPXORBSA-N |
COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCO CC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(= O)[C@H]6[C@H]5CCCC6; COc1ccc(cc1OC)CCC(c 2cccc(c2)OCCN3CCOCC3)OC(=O)C4CCCCN4C(=O) C5CCC(=O)C6C5CCCC6; COc1ccc(CC[C@@H](OC( =O)[C@@H]2CCCCN2C(=O)[C@@H]3CCC(=O)[C@@H ]4CCCC[C@@H]34)c5cccc(OCCN6CCOCC6)c5)cc1 OC; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O )[CH]3CCC(=O)[CH]4CCCC[CH]34)c5cccc(OCCN 6CCOCC6)c5)cc1OC |
[(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate |
| 31665 |  L2R CHEMBL5272558 |
1 | C21 H24 N8 O2 S | InChI=1S/C21H24N8O2S/c30- 20(31)18(28(11-16-9-22-13 -24-16)12-17-10-23-14-25- 17)7-4-8-29-19(26-27-21(2 9)32)15-5-2-1-3-6-15/h1-3 ,5-6,9-10,13-14,18H,4,7-8 ,11-12H2,(H,22,24)(H,23,2 5)(H,27,32)(H,30,31)/t18- /m0/s1; YWCRDRKNQRFREX-SFHVURJKSA-N |
c1ccc(cc1)C2=NNC(=S)N2CCCC(C(=O)O)N(Cc3c [nH]cn3)Cc4c[nH]cn4; OC(=O)[CH](CCCN1C(= S)NN=C1c2ccccc2)N(Cc3c[nH]cn3)Cc4c[nH]cn 4; c1ccc(cc1)C2=NNC(=S)N2CCC[C@@H](C(=O) O)N(Cc3c[nH]cn3)Cc4c[nH]cn4; OC(=O)[C@H] (CCCN1C(=S)NN=C1c2ccccc2)N(Cc3c[nH]cn3)C c4c[nH]cn4 |
(2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid |
| 31666 |  L2S ZINC000000449964 |
1 | C14 H19 N O S | InChI=1S/C14H19NOS/c1-12- 5-7-13(8-6-12)17-11-14(16 )15-9-3-2-4-10-15/h5-8H,2 -4,9-11H2,1H3; SHRAJQKNTTWFAA-UHFFFAOYSA-N |
O=C(N1CCCCC1)CSc2ccc(cc2)C; Cc1ccc(SCC(= O)N2CCCCC2)cc1; Cc1ccc(cc1)SCC(=O)N2CCCC C2 |
1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine |
| 31667 |  L2T ZINC000066156916 |
4 | C36 H39 N3 O5 | InChI=1S/C36H39N3O5/c1-25 -11-9-10-16-30(25)23-37-3 5(42)32(22-17-27-12-5-3-6 -13-27)38-36(43)33(26(2)4 0)39-34(41)29-18-20-31(21 -19-29)44-24-28-14-7-4-8- 15-28/h3-16,18-21,26,32-3 3,40H,17,22-24H2,1-2H3,(H ,37,42)(H,38,43)(H,39,41) /t26-,32+,33+/m1/s1; PXUPYVNAOYVXDS-DJDPXSJISA-N |
C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)c c1)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc4cccc c4C; Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC (=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc 4ccccc4; C[CH](O)[CH](NC(=O)c1ccc(OCc2cc ccc2)cc1)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4 ccccc4C; Cc1ccccc1CNC(=O)C(CCc2ccccc2)NC (=O)C(C(C)O)NC(=O)c3ccc(cc3)OCc4ccccc4; O=C(NCc1ccccc1C)C(NC(=O)C(NC(=O)c3ccc(OC c2ccccc2)cc3)C(O)C)CCc4ccccc4 |
4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide |
| 31668 |  L2U CHEMBL5412341 |
2 | C41 H57 N9 O13 S | InChI=1S/C41H57N9O13S/c1- 23(2)20-30(40(59)49(3)31( 16-18-35(53)54)38(57)45-1 9-5-4-6-33(43)51)47-39(58 )32-21-26(42)22-50(32)34( 52)17-15-29(41(60)61)48-6 4(62,63)28-13-11-27(12-14 -28)46-37(56)25-9-7-24(8- 10-25)36(44)55/h7-14,23,2 6,29-32,48H,4-6,15-22,42H 2,1-3H3,(H2,43,51)(H2,44, 55)(H,45,57)(H,46,56)(H,4 7,58)(H,53,54)(H,60,61)/t 26-,29+,30-,31-,32-/m0/s1; XGGNDAOPHPLHFW-PVNIVXITSA-N |
CC(C)C[C@@H](C(=O)N(C)[C@@H](CCC(=O)O)C( =O)NCCCCC(=O)N)NC(=O)[C@@H]1C[C@@H](CN1C (=O)CC[C@H](C(=O)O)NS(=O)(=O)c2ccc(cc2)N C(=O)c3ccc(cc3)C(=O)N)N; CC(C)C[C@H](NC( =O)[C@@H]1C[C@H](N)CN1C(=O)CC[C@@H](N[S] (=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(N)=O)cc2 )C(O)=O)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)NC CCCC(N)=O; CC(C)C[CH](NC(=O)[CH]1C[CH](N )CN1C(=O)CC[CH](N[S](=O)(=O)c2ccc(NC(=O) c3ccc(cc3)C(N)=O)cc2)C(O)=O)C(=O)N(C)[CH ](CCC(O)=O)C(=O)NCCCCC(N)=O; CC(C)CC(C(= O)N(C)C(CCC(=O)O)C(=O)NCCCCC(=O)N)NC(=O) C1CC(CN1C(=O)CCC(C(=O)O)NS(=O)(=O)c2ccc( cc2)NC(=O)c3ccc(cc3)C(=O)N)N |
(2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid |
| 31669 |  L2V |
1 | C32 H28 N6 O2 | InChI=1S/C32H28N6O2/c1-4- 33-32(40)30(38-31(39)25-1 1-13-27-29(19-25)37-21(3) 20(2)36-27)18-24-7-5-6-22 (16-24)8-9-23-10-12-26-28 (17-23)35-15-14-34-26/h5- 7,10-17,19,30H,4,18H2,1-3 H3,(H,33,40)(H,38,39)/t30 -/m1/s1; HHORYOJAJULUEH-SSEXGKCCSA-N |
CCNC(=O)[C@@H](Cc1cccc(c1)C#Cc2ccc3c(c2) nccn3)NC(=O)c4ccc5c(c4)nc(c(n5)C)C; CCNC (=O)[CH](Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC (=O)c4ccc5nc(C)c(C)nc5c4; CCNC(=O)[C@@H] (Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC(=O)c4cc c5nc(C)c(C)nc5c4; CCNC(=O)C(Cc1cccc(c1)C #Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c (n5)C)C |
N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide |
| 31670 |  L2W CHEMBL4787841 |
1 | C23 H29 N3 O5 S | InChI=1S/C23H29N3O5S/c1-1 5-21-17(8-4-5-9-19(21)27) 22(24-15)23(28)25-18-14-1 6(10-11-20(18)31-2)32(29, 30)26-12-6-3-7-13-26/h10- 11,14,24H,3-9,12-13H2,1-2 H3,(H,25,28); GACUWBJOGWUMHF-UHFFFAOYSA-N |
COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc2 3)[S](=O)(=O)N4CCCCC4; Cc1c2c(c([nH]1)C( =O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2 =O |
~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
| 31671 |  L2X CHEMBL5566430 |
4 | C28 H29 N3 O5 | InChI=1S/C28H29N3O5/c32-2 2-13-11-19(12-14-22)15-16 -29-27(34)24-25(36-24)28( 35)31-23(17-20-7-3-1-4-8- 20)26(33)30-18-21-9-5-2-6 -10-21/h1-14,23-25,32H,15 -18H2,(H,29,34)(H,30,33)( H,31,35)/t23-,24-,25-/m0/ s1; ZMZQYVMNDRBKLO-SDHOMARFSA-N |
c1ccc(cc1)C[C@@H](C(=O)NCc2ccccc2)NC(=O) [C@@H]3[C@H](O3)C(=O)NCCc4ccc(cc4)O; Oc1 ccc(CCNC(=O)[CH]2O[CH]2C(=O)N[CH](Cc3ccc cc3)C(=O)NCc4ccccc4)cc1; Oc1ccc(CCNC(=O) [C@H]2O[C@@H]2C(=O)N[C@@H](Cc3ccccc3)C(= O)NCc4ccccc4)cc1; c1ccc(cc1)CC(C(=O)NCc2 ccccc2)NC(=O)C3C(O3)C(=O)NCCc4ccc(cc4)O |
(2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide; (2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide |
| 31672 |  L2Y |
4 | C7 H16 F N2 O P | InChI=1S/C7H16FN2OP/c1-5- 10(6-2)7(3)9-12(4,8)11/h5 -6H2,1-4H3/b9-7+/t12-/m0/ s1; OUJDIWHRYQBZSR-CRALRDPISA-N |
CCN(CC)C(\C)=N\P(C)(=O)F; CCN(CC)/C(=N/[ P@](=O)(C)F)/C; CCN(CC)C(C)=N[P](C)(F)=O ; CCN(CC)C(C)=N[P@](C)(F)=O; CCN(CC)C(=N P(=O)(C)F)C |
(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride; A-230 (Nerve agent) |
| 31673 |  L2Z CHEMBL4776447 |
1 | C23 H27 N3 O6 S | InChI=1S/C23H27N3O6S/c1-1 4-20-16(5-3-4-6-18(20)27) 21(24-14)22(28)25-17-9-15 (7-8-19(17)31-2)33(29,30) 26-10-23(11-26)12-32-13-2 3/h7-9,24H,3-6,10-13H2,1- 2H3,(H,25,28); FQZLYYSRDPJOHB-UHFFFAOYSA-N |
Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(= O)N4CC5(C4)COC5)CCCCC2=O; COc1ccc(cc1NC( =O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N 4CC5(COC5)C4 |
~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
| 31674 |  L30 ZINC000003157529 |
2 | C16 H12 N2 O | InChI=1S/C16H12N2O/c19-16 (13-7-4-10-17-11-13)18-15 -9-3-6-12-5-1-2-8-14(12)1 5/h1-11H,(H,18,19); OZOFJVFWGZHBHV-UHFFFAOYSA-N |
O=C(Nc1cccc2ccccc12)c3cccnc3; O=C(Nc1ccc c2ccccc21)c1cccnc1; c1ccc2c(c1)cccc2NC(= O)c3cccnc3 |
N-(naphthalen-1-yl)pyridine-3-carboxamide |
| 31675 |  L31 ZINC000045337234 |
2 | C20 H20 N2 O2 | InChI=1S/C20H20N2O2/c1-12 -6-7-18-17(10-12)16-8-9-2 2(13(2)23)20(19(16)21-18) 14-4-3-5-15(24)11-14/h3-7 ,10-11,20-21,24H,8-9H2,1- 2H3/t20-/m1/s1; ZNGGYWGHJZJJDR-HXUWFJFHSA-N |
Cc1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)C)c4c ccc(c4)O; Cc1ccc2c(c1)c3c([nH]2)[C@H](N( CC3)C(=O)C)c4cccc(c4)O; O=C(N4CCc2c1cc(c cc1nc2C4c3cccc(O)c3)C)C; CC(=O)N1CCc2c([ nH]c3ccc(C)cc23)[C@H]1c4cccc(O)c4; CC(=O )N1CCc2c([nH]c3ccc(C)cc23)[CH]1c4cccc(O) c4 |
3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol |
| 31676 |  L32 ZINC000584905596 |
1 | C15 H9 Br2 N O3 | InChI=1S/C15H9Br2NO3/c16- 8-1-3-10-11-4-2-9(17)6-13 (11)15(12(10)5-8)18-21-7- 14(19)20/h1-6H,7H2,(H,19, 20); SSUCUHRDWSCTFP-UHFFFAOYSA-N |
c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br ; OC(=O)CON=C1c2cc(Br)ccc2c3ccc(Br)cc13; Brc3ccc2c1ccc(cc1C(\c2c3)=N/OCC(O)=O)Br |
{[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid |
| 31677 |  L33 CHEMBL3786456 ZINC000054852589 |
1 | C20 H27 N3 O4 S | InChI=1S/C20H27N3O4S/c1-6 -17-18(14(5)24)13(4)21-19 (17)20(25)22-15-10-9-11-1 6(12-15)28(26,27)23(7-2)8 -3/h9-12,21H,6-8H2,1-5H3, (H,22,25); MKVQSNKXUKWRMD-UHFFFAOYSA-N |
CCN(CC)[S](=O)(=O)c1cccc(NC(=O)c2[nH]c(C )c(C(C)=O)c2CC)c1; CCc1c(c([nH]c1C(=O)Nc 2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C; c1cc (cc(c1)NC(c2c(c(C(C)=O)c(n2)C)CC)=O)S(N( CC)CC)(=O)=O |
4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide |
| 31678 |  L34 CHEMBL1233930 |
4 | C20 H21 N7 O7 | InChI=1S/C20H21N7O7/c21-1 9-24-15-14(17(31)25-19)27 -11(7-22-15)8-26(20(27)34 )10-3-1-9(2-4-10)16(30)23 -12(18(32)33)5-6-13(28)29 /h1-4,11-12H,5-8H2,(H,23, 30)(H,28,29)(H,32,33)(H4, 21,22,24,25,31)/t11-,12+/ m1/s1; JSNFRYBHBVDHSG-NEPJUHHUSA-N |
O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O )N)NCC2C3)cc4)CCC(=O)O; c1cc(ccc1C(=O)N[ C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(n c(n4)N)O)N3C2=O; Nc1nc(O)c2N3[CH](CNc2n1 )CN(C3=O)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C (O)=O; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O) N2CC3CNc4c(c(nc(n4)N)O)N3C2=O; Nc1nc(O)c 2N3[C@H](CNc2n1)CN(C3=O)c4ccc(cc4)C(=O)N [C@@H](CCC(O)=O)C(O)=O |
4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID; LY345899 |
| 31679 |  L35 CHEMBL76029 DB08077 ZINC000003646141 |
16 | C17 H16 Cl2 N2 O4 | InChI=1S/C17H16Cl2N2O4/c1 -17(2,15(22)23)25-14-5-3- 12(4-6-14)20-16(24)21-13- 8-10(18)7-11(19)9-13/h3-9 H,1-2H3,(H,22,23)(H2,20,2 1,24); OYJPTSMWFKGZJM-UHFFFAOYSA-N |
CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 )C(O)=O; CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)N c2cc(cc(c2)Cl)Cl; Clc2cc(NC(=O)Nc1ccc(OC (C(=O)O)(C)C)cc1)cc(Cl)c2 |
2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID |
| 31680 |  L36 |
2 | C15 H23 N3 O3 | InChI=1S/C15H23N3O3/c1-3- 9-18(11-12-5-7-13(16)8-6- 12)15(20)17-10-14(19)21-4 -2/h5-8H,3-4,9-11,16H2,1- 2H3,(H,17,20); KHLQRJYGXHCNMH-UHFFFAOYSA-N |
CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC; CCCN( Cc1ccc(N)cc1)C(=O)NCC(=O)OCC |
ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate |
| 31681 |  L37 DB02358 |
1 | C17 H19 N7 O7 | InChI=1S/C17H19N7O7/c18-1 1-12(22-16(19)24-14(11)28 )23-17(31)20-8-3-1-7(2-4- 8)13(27)21-9(15(29)30)5-6 -10(25)26/h1-4,9H,5-6,18H 2,(H,21,27)(H,25,26)(H,29 ,30)(H5,19,20,22,23,24,28 ,31)/t9-/m0/s1; SZHRIPFGZWWRKW-VIFPVBQESA-N |
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)N c2c(c(nc(n2)N)O)N; Nc1nc(O)c(N)c(NC(=O)N c2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)n 1; O=C(O)C(NC(=O)c1ccc(cc1)NC(=O)Nc2nc(n c(O)c2N)N)CCC(=O)O; c1cc(ccc1C(=O)N[C@@H ](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O )N; Nc1nc(O)c(N)c(NC(=O)Nc2ccc(cc2)C(=O) N[CH](CCC(O)=O)C(O)=O)n1 |
[[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID; LY374571 |
| 31682 |  L39 ZINC000098209095 |
2 | C27 H41 I O3 | InChI=1S/C27H41IO3/c1-16( 15-28)5-8-23(30)17(2)25-2 4(31)14-22-20-7-6-18-13-1 9(29)9-11-26(18,3)21(20)1 0-12-27(22,25)4/h6,16-17, 19-22,25,29H,5,7-15H2,1-4 H3/t16-,17-,19+,20-,21+,2 2+,25+,26+,27+/m1/s1; AWHQELOUIOILMT-WQTURIIHSA-N |
CC(CCC(=O)C(C)C1C(=O)CC2C1(CCC3C2CC=C4C3 (CCC(C4)O)C)C)CI; ICC(C)CCC(=O)C(C1C(=O) CC2C1(C)CCC3C2CC=C4C3(CCC(O)C4)C)C; C[C@ H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C @@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]( C4)O)C)C)CI; C[C@@H](CI)CCC(=O)[C@@H](C) [C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O) CC[C@]4(C)[C@H]3CC[C@]12C; C[CH](CI)CCC( =O)[CH](C)[CH]1C(=O)C[CH]2[CH]3CC=C4C[CH ](O)CC[C]4(C)[CH]3CC[C]12C |
(3beta,9beta,25R)-3-hydroxy-26-iodocholest-5-ene-16,22-dione |
| 31683 |  L3A ZINC000025109495 |
3 | C9 H20 N O4 P | InChI=1S/C9H20NO4P/c1-6(2 )4-8(10)15(13,14)5-7(3)9( 11)12/h6-8H,4-5,10H2,1-3H 3,(H,11,12)(H,13,14)/t7-, 8+/m0/s1; PYHFMEIRRPJIRC-JGVFFNPUSA-N |
CC(C)CC(N)P(=O)(CC(C)C(=O)O)O; C[C@@H](C P(=O)([C@H](CC(C)C)N)O)C(=O)O; CC(C)C[CH ](N)[P](O)(=O)C[CH](C)C(O)=O; O=P(O)(C(N )CC(C)C)CC(C(=O)O)C; CC(C)C[C@H](N)[P](O )(=O)C[C@H](C)C(O)=O |
(2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid; L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE |
| 31684 |  L3B ZINC000039702778 |
2 | C9 H7 N3 S | InChI=1S/C9H7N3S/c1-6-4-2 -3-5-7(6)8-10-9(13)12-11- 8/h2-5H,1H3; DEADBTNDSDWXDC-UHFFFAOYSA-N |
Cc1ccccc1C2=NC(=S)N=N2; S=C1N=NC(=N1)c2c cccc2C |
5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione |
| 31685 |  L3C CHEMBL101844 ZINC000001713271 |
1 | C8 H7 Cl O2 | InChI=1S/C8H7ClO2/c9-5-6- 1-3-7(4-2-6)8(10)11/h1-4H ,5H2,(H,10,11); OITNBJHJJGMFBN-UHFFFAOYSA-N |
c1cc(ccc1CCl)C(=O)O; ClCc1ccc(cc1)C(=O)O ; OC(=O)c1ccc(CCl)cc1 |
4-(chloromethyl)benzoic acid |
| 31686 |  L3D CHEMBL3259907 ZINC000169335815 |
25 | C27 H26 N2 O4 | InChI=1S/C27H26N2O4/c1-15 -21(25(26(30)31)33-27(2,3 )4)23(17-7-5-6-8-19(17)29 -15)18-9-10-20-22-16(12-1 4-32-20)11-13-28-24(18)22 /h5-11,13,25H,12,14H2,1-4 H3,(H,30,31)/t25-/m0/s1; MIXIIJCBELCMCZ-VWLOTQADSA-N |
Cc1nc2ccccc2c(c3ccc4OCCc5ccnc3c45)c1[CH] (OC(C)(C)C)C(O)=O; Cc1c(c(c2ccccc2n1)c3c cc4c5c3nccc5CCO4)C(C(=O)O)OC(C)(C)C; Cc1 c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H ](C(=O)O)OC(C)(C)C; Cc1nc2ccccc2c(c3ccc4 OCCc5ccnc3c45)c1[C@H](OC(C)(C)C)C(O)=O; Cc4c(C(C(=O)O)OC(C)(C)C)c(c1c3c2c(cc1)OC Cc2ccn3)c5c(n4)cccc5 |
(2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid |
| 31687 |  L3E |
5 | C22 H13 Cl F3 N3 O3 | InChI=1S/C22H13ClF3N3O3/c 23-17-3-1-2-16(22(24,25)2 6)18(17)19-15(20(32-29-19 )13-8-9-27-10-13)11-28-14 -6-4-12(5-7-14)21(30)31/h 1-11,27H,(H,30,31)/b28-11 +; LJVOVLBKDUEQOP-IPBVOBEMSA-N |
c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N /c4ccc(cc4)C(=O)O)C(F)(F)F; OC(=O)c1ccc( cc1)N=Cc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[ nH]cc4; c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH ]c3)C=Nc4ccc(cc4)C(=O)O)C(F)(F)F |
4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid |
| 31688 |  L3F |
4 | C22 H28 N2 O4 | InChI=1S/C22H28N2O4/c1-16 (2)20(24-22(27)28-15-18-1 1-7-4-8-12-18)21(26)23-19 (14-25)13-17-9-5-3-6-10-1 7/h3-12,16,19-20,25H,13-1 5H2,1-2H3,(H,23,26)(H,24, 27)/t19-,20-/m0/s1; VLFHBNSJHLMKMM-PMACEKPBSA-N |
CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO )Cc2ccccc2; CC(C)[C@H](NC(=O)OCc1ccccc1) C(=O)N[C@H](CO)Cc2ccccc2; CC(C)C(C(=O)NC (Cc1ccccc1)CO)NC(=O)OCc2ccccc2; CC(C)[C@ @H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)OCc2 ccccc2 |
(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate; benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate; calpain inhibitor III |
| 31689 |  L3G CHEMBL381203 ZINC000016051846 |
2 | C32 H36 N8 O3 | InChI=1S/C32H36N8O3/c1-38 -25-6-4-3-5-20(25)17-26(3 8)32(41)36-24-8-7-21(18-2 7(24)42-2)29-28-30(33)34- 19-35-31(28)40(37-29)23-9 -13-39(14-10-23)22-11-15- 43-16-12-22/h3-8,17-19,22 -23H,9-16H2,1-2H3,(H,36,4 1)(H2,33,34,35); CMFPSTWYLODPNE-UHFFFAOYSA-N |
Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(nc nc5n(n4)C6CCN(CC6)C7CCOCC7)N; COc1cc(ccc 1NC(=O)c2cc3ccccc3n2C)c4nn(C5CCN(CC5)C6C COCC6)c7ncnc(N)c47; O=C(c2cc1ccccc1n2C)N c3ccc(cc3OC)c5nn(c4ncnc(N)c45)C7CCN(C6CC OCC6)CC7 |
N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE |
| 31690 |  L3H |
1 | C21 H25 N2 O2 | InChI=1S/C21H24N2O2/c24-2 1(22-18-9-2-1-3-10-18)25- 20-11-6-12-23(15-20)19-13 -16-7-4-5-8-17(16)14-19/h 1-5,7-10,19-20H,6,11-15H2 ,(H,22,24)/p+1/t20-/m0/s1; ISMYNYFEVMBAEI-FQEVSTJZSA-O |
c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4 ccccc4C3; O=C(Nc1ccccc1)O[C@H]2CCC[NH+]( C2)C3Cc4ccccc4C3; c1ccc(cc1)NC(=O)OC2CCC [NH+](C2)C3Cc4ccccc4C3; O=C(Nc1ccccc1)O[ CH]2CCC[NH+](C2)C3Cc4ccccc4C3 |
[(3~{S})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-1-ium-3-yl] ~{N}-phenylcarbamate |
| 31691 |  L3I |
1 | C16 H17 Cl N2 O | InChI=1S/C16H17ClN2O/c1-1 1-7-8-18-10-14(11)19-15(2 0)16(2,3)12-5-4-6-13(17)9 -12/h4-10H,1-3H3,(H,19,20 ); QOWQEKIGADCHLL-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)C(C)(C)c2cccc(c2)Cl; O=C( Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1; Cc1ccncc 1NC(=O)C(C)(C)c2cccc(Cl)c2 |
2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
| 31692 |  L3J |
3 | C32 H46 N4 O5 S | InChI=1S/C32H46N4O5S/c1-6 -14-36(42(5,40)41)29-18-2 6-11-8-7-10-24-12-9-13-25 (15-24)17-28(35-31(38)27( 16-26)19-29)21-33-30(23(4 )37)32(39)34-20-22(2)3/h9 ,12-13,15-16,18-20,22-23, 28,30,33,37H,6-8,10-11,14 ,17,21H2,1-5H3,(H,35,38)/ b34-20+/t23-,28-,30+/m0/s 1; DQMUZJCEBNKYBU-PQJSMVLXSA-N |
CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3) CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C) S(=O)(=O)C; C(\C=N\C(C(NCC2NC(=O)c1cc(cc (N(CCC)S(C)(=O)=O)c1)CCCCc3cccc(C2)c3)C( C)O)=O)(C)C; CCCN(c1cc2CCCCc3cccc(C[C@@H ](CN[C@H]([C@H](C)O)C(=O)N=CC(C)C)NC(=O) c(c2)c1)c3)[S](C)(=O)=O; CCCN(c1cc2cc(c1 )C(=O)NC(Cc3cccc(c3)CCCC2)CNC(C(C)O)C(=O )N=CC(C)C)S(=O)(=O)C; CCCN(c1cc2CCCCc3cc cc(C[CH](CN[CH]([CH](C)O)C(=O)N=CC(C)C)N C(=O)c(c2)c1)c3)[S](C)(=O)=O |
(E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide |
| 31693 |  L3K ZINC000002566009 |
1 | C9 H9 Br O2 | InChI=1S/C9H9BrO2/c10-6-5 -7-1-3-8(4-2-7)9(11)12/h1 -4H,5-6H2,(H,11,12); BKMRWJWLBHHGCF-UHFFFAOYSA-N |
c1cc(ccc1CCBr)C(=O)O; BrCCc1ccc(cc1)C(=O )O; OC(=O)c1ccc(CCBr)cc1 |
4-(2-bromoethyl)benzoic acid |
| 31694 |  L3L CHEMBL597890 ZINC000045367153 |
1 | C14 H17 N3 O2 | InChI=1S/C14H17N3O2/c15-1 3(18)11-3-1-2-9-8-17(14(1 9)12(9)11)10-4-6-16-7-5-1 0/h1-3,10,16H,4-8H2,(H2,1 5,18); KISOFIKBJFDVKM-UHFFFAOYSA-N |
NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12; c1cc2 c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3 |
3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide |
| 31695 |  L3M |
5 | C34 H52 N4 O5 S | InChI=1S/C34H52N4O5S/c1-6 -11-31(39)32(34(41)36-22- 24(3)4)35-23-29-19-26-15- 10-14-25(17-26)12-8-9-13- 27-18-28(33(40)37-29)21-3 0(20-27)38(16-7-2)44(5,42 )43/h10,14-15,17-18,20-21 ,24,29,31-32,35,39H,6-9,1 1-13,16,19,22-23H2,1-5H3, (H,36,41)(H,37,40)/t29-,3 1-,32-/m0/s1; BUVUUWHTEARFCT-GOBOWQCMSA-N |
CCC[C@H](O)[C@H](NC[C@@H]1Cc2cccc(CCCCc3 cc(cc(c3)C(=O)N1)N(CCC)[S](C)(=O)=O)c2)C (=O)NCC(C)C; O=C3c1cc(cc(c1)CCCCc2cc(ccc 2)CC(CNC(C(CCC)O)C(=O)NCC(C)C)N3)N(CCC)S (C)(=O)=O; CCCC(C(C(=O)NCC(C)C)NCC1Cc2cc cc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C( =O)N1)O; CCC[C@@H]([C@@H](C(=O)NCC(C)C)N C[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC) S(=O)(=O)C)C(=O)N1)O; CCC[CH](O)[CH](NC[ CH]1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(CCC )[S](C)(=O)=O)c2)C(=O)NCC(C)C |
(3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide |
| 31696 |  L3N CHEMBL421646 ZINC000000150158 |
3 | C8 H6 N2 O2 | InChI=1S/C8H6N2O2/c11-7-5 -3-1-2-4-6(5)9-8(12)10-7/ h1-4H,(H2,9,10,11,12); SDQJTWBNWQABLE-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)NC(=O)N2; O=C1NC(=O)c2cc ccc2N1 |
1~{H}-quinazoline-2,4-dione |
| 31697 |  L3O ZINC000005759815 |
0 | C7 H15 N O3 | InChI=1S/C7H15NO3/c1-4(2) 3-5(8)6(9)7(10)11/h4-6,9H ,3,8H2,1-2H3,(H,10,11)/t5 -,6-/m0/s1; GZLMFCWSEKVVGO-WDSKDSINSA-N |
CC(C)C[C@@H]([C@@H](C(=O)O)O)N; O=C(O)C( O)C(N)CC(C)C; CC(C)CC(C(C(=O)O)O)N; CC(C )C[C@H](N)[C@H](O)C(O)=O; CC(C)C[CH](N)[ CH](O)C(O)=O |
(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid |
| 31698 |  L3P |
0 | C46 H94 O11 P2 | InChI=1S/C46H96O11P2/c1-3 7(2)17-11-19-39(5)21-13-2 3-41(7)25-15-27-43(9)29-3 1-53-35-46(36-57-59(51,52 )56-34-45(47)33-55-58(48, 49)50)54-32-30-44(10)28-1 6-26-42(8)24-14-22-40(6)2 0-12-18-38(3)4/h37-47H,11 -36H2,1-10H3,(H,51,52)(H2 ,48,49,50)/p-2/t39?,40?,4 1-,42-,43-,44-,45-,46+/m1 /s1; TZXJQSKPTCRGCA-VZSPAKCESA-L |
[O-]P(=O)(O)OCC(O)COP([O-])(=O)OCC(OCCC( C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C) CCCC(C)CCCC(C)C; CC(C)CCCC(C)CCC[C@@H](C )CCC[C@@H](C)CCOC[C@@H](CO[P]([O-])(=O)O C[C@H](O)CO[P](O)([O-])=O)OCC[C@H](C)CCC [C@H](C)CCCC(C)CCCC(C)C; CC(C)CCC[C@@H]( C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[ P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-]) O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC( C)C; CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP (=O)([O-])OCC(COP(=O)(O)[O-])O)OCCC(C)CC CC(C)CCCC(C)CCCC(C)C; CC(C)CCCC(C)CCC[CH ](C)CCC[CH](C)CCOC[CH](CO[P]([O-])(=O)OC [CH](O)CO[P](O)([O-])=O)OCC[CH](C)CCC[CH ](C)CCCC(C)CCCC(C)C |
2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE |
| 31699 |  L3Q ZINC000016697980 |
3 | C6 H10 N2 O2 | InChI=1S/C6H10N2O2/c9-6-8 -2-1-7-3-5(8)4-10-6/h5,7H ,1-4H2/t5-/m0/s1; SWKVQJQPSGTEBD-YFKPBYRVSA-N |
O=C1OC[C@@H]2CNCCN12; O=C1OC[CH]2CNCCN12 ; C1CN2[C@@H](CN1)COC2=O; C1CN2C(CN1)COC 2=O |
(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one |
| 31700 |  L3R CHEMBL2048484 DB08907 ZINC000043207238 |
1 | C24 H25 F O5 S | InChI=1S/C24H25FO5S/c1-13 -2-3-15(24-23(29)22(28)21 (27)19(12-26)30-24)10-16( 13)11-18-8-9-20(31-18)14- 4-6-17(25)7-5-14/h2-10,19 ,21-24,26-29H,11-12H2,1H3 /t19-,21-,22+,23-,24+/m1/ s1; XTNGUQKDFGDXSJ-ZXGKGEBGSA-N |
Cc1ccc(cc1Cc2sc(cc2)c3ccc(F)cc3)[CH]4O[C H](CO)[CH](O)[CH](O)[CH]4O; Cc1ccc(cc1Cc 2sc(cc2)c3ccc(F)cc3)[C@@H]4O[C@H](CO)[C@ @H](O)[C@H](O)[C@H]4O; Cc1ccc(cc1Cc2ccc( s2)c3ccc(cc3)F)C4C(C(C(C(O4)CO)O)O)O; Cc 1ccc(cc1Cc2ccc(s2)c3ccc(cc3)F)[C@H]4[C@@ H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; Canagliflozin |
| 31701 |  L3S ZINC000034859009 |
1 | C7 H7 N O3 | InChI=1S/C7H7NO3/c1-5-2-3 -6(8(10)11)7(9)4-5/h2-4,9 H,1H3; NQXUSSVLFOBRSE-UHFFFAOYSA-N |
Cc1ccc(c(c1)O)[N+](=O)[O-]; c1(cc(C)ccc1 [N+](=O)[O-])O; Cc1ccc(c(O)c1)[N+]([O-]) =O |
5-methyl-2-nitrophenol |
| 31702 |  L3T ZINC000066157005 |
4 | C35 H40 N6 O5 | InChI=1S/C35H40N6O5/c1-22 -9-5-6-10-24(22)19-38-32( 44)28(17-23-13-15-36-16-1 4-23)40-33(45)29(18-30(42 )39-21-35(2,3)4)41-34(46) 31(43)26-20-37-27-12-8-7- 11-25(26)27/h5-16,20,28-2 9,37H,17-19,21H2,1-4H3,(H ,38,44)(H,39,42)(H,40,45) (H,41,46)/t28-,29-/m0/s1; GXQREPYVKBZJGC-VMPREFPWSA-N |
Cc1ccccc1CNC(=O)[C@H](Cc2ccncc2)NC(=O)[C @H](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c 4ccccc34; Cc1ccccc1CNC(=O)[CH](Cc2ccncc2 )NC(=O)[CH](CC(=O)NCC(C)(C)C)NC(=O)C(=O) c3c[nH]c4ccccc34; O=C(NCc1ccccc1C)C(NC(= O)C(NC(=O)C(=O)c3c2ccccc2nc3)CC(=O)NCC(C )(C)C)Cc4ccncc4; Cc1ccccc1CNC(=O)C(Cc2cc ncc2)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)C(=O )c3c[nH]c4c3cccc4; Cc1ccccc1CNC(=O)[C@H] (Cc2ccncc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C) NC(=O)C(=O)c3c[nH]c4c3cccc4 |
N-(2,2-dimethylpropyl)-N~2~-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-pyridin-4-yl-L-alaninamide |
| 31703 |  L3U CHEMBL4451258 |
1 | C16 H26 N4 O9 S | InChI=1S/C16H26N4O9S/c1-8 (2)6-9(17)14(24)18-30(26, 27)28-7-10-12(22)13(23)15 (29-10)20-5-4-11(21)19(3) 16(20)25/h4-5,8-10,12-13, 15,22-23H,6-7,17H2,1-3H3, (H,18,24)/t9-,10+,12+,13+ ,15+/m0/s1; IHQCOGYAMSEDBL-KHBBOIOASA-N |
CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O) O)N; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH ]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)N(C)C2=O ; CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H] 1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)N(C)C 2=O; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1 )N2C=CC(=O)N(C2=O)C)O)O)N |
[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 31704 |  L3V CHEMBL4476751 ZINC000002566078 |
1 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-7(12 )10-9-4-2-8(6-11)3-5-9/h2 -5,11H,6H2,1H3,(H,10,12); XEYORFKUJZEQCH-UHFFFAOYSA-N |
CC(=O)Nc1ccc(CO)cc1; CC(=O)Nc1ccc(cc1)CO | N-[4-(hydroxymethyl)phenyl]acetamide |
| 31705 |  L3W |
2 | C21 H29 N7 O16 P2 | InChI=1S/C21H29N7O16P2/c2 2-17-12-19(25-6-24-17)28( 7-26-12)21-16(34)14(32)11 (43-21)5-41-46(38,39)44-4 5(36,37)40-4-10-13(31)15( 33)20(42-10)27(8-29)3-1-2 -9(30)18(23)35/h1-3,6-8,1 0-11,13-16,20-21,30-34H,4 -5H2,(H2,23,35)(H,36,37)( H,38,39)(H2,22,24,25)/b3- 1+,9-2-/t10-,11-,13-,14-, 15-,16-,20-,21-/m1/s1; QSTZUQWNOOUKGF-OTTADCDWSA-N |
NC(=O)C(O)=CC=CN(C=O)[CH]1O[CH](CO[P](O) (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2 O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O; c1nc(c 2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)( O)OCC4C(C(C(O4)N(C=CC=C(C(=O)N)O)C=O)O)O )O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([ C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@ H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(= O)N)\O)C=O)O)O)O)O)N; NC(=O)\C(O)=C\C=C\ N(C=O)[C@@H]1O[C@H](CO[P](O)(=O)O[P](O)( =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc 4c(N)ncnc34)[C@@H](O)[C@H]1O |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 31706 |  L3X |
0 | C12 H18 N7 O7 P | InChI=1S/C12H18N7O7P/c13- 1-6(20)18-7-5(2-25-27(22, 23)24)26-12(9(7)21)19-4-1 7-8-10(14)15-3-16-11(8)19 /h3-5,7,9,12,21H,1-2,13H2 ,(H,18,20)(H2,14,15,16)(H 2,22,23,24)/t5-,7-,9-,12- /m1/s1; LEUUMALNMKNMGX-MUIQIWNUSA-N |
O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1N C(=O)CN; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO P(=O)(O)O)NC(=O)CN)O)N; NCC(=O)N[CH]1[CH ](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)n cnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C @@H]([C@H](O3)COP(=O)(O)O)NC(=O)CN)O)N; NCC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO [P](O)(O)=O)n2cnc3c(N)ncnc23 |
3'-deoxy-3'-(glycylamino)adenosine 5'-(dihydrogen phosphate) |
| 31707 |  L3Y CHEMBL5565016 ZINC000000153759 |
1 | C8 H8 O3 S | InChI=1S/C8H8O3S/c1-12(10 ,11)8-4-2-7(6-9)3-5-8/h2- 6H,1H3; PSVPUHBSBYJSMQ-UHFFFAOYSA-N |
CS(c1ccc(C=O)cc1)(=O)=O; CS(=O)(=O)c1ccc (cc1)C=O; C[S](=O)(=O)c1ccc(C=O)cc1 |
4-(methylsulfonyl)benzaldehyde |
| 31708 |  L3Z CHEMBL4519157 |
1 | C24 H22 N4 O2 | InChI=1S/C24H22N4O2/c29-2 3-17-12-13-25-20(16-17)18 -8-2-5-11-22(18)30-15-7-1 -6-14-28-21-10-4-3-9-19(2 1)26-24(28)27-23/h2-5,8-1 3,16H,1,6-7,14-15H2,(H,26 ,27,29); HZCFGMWNKNGYOZ-UHFFFAOYSA-N |
O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn 5; c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5cccc c5n4CCCCCO2 |
8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one |
| 31709 |  L40 CHEMBL3785242 ZINC000050781913 |
1 | C18 H23 N3 O4 S | InChI=1S/C18H23N3O4S/c1-6 -14-16(12(4)22)11(3)20-17 (14)18(23)21-15-9-13(8-7- 10(15)2)26(24,25)19-5/h7- 9,19-20H,6H2,1-5H3,(H,21, 23); KAKRVIDRGACTEX-UHFFFAOYSA-N |
CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O) NC)C)C(=O)C; c1c(c(cc(c1)S(NC)(=O)=O)NC( c2c(c(c(n2)C)C(C)=O)CC)=O)C; CCc1c([nH]c (C)c1C(C)=O)C(=O)Nc2cc(ccc2C)[S](=O)(=O) NC |
4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide |
| 31710 |  L41 CHEMBL153057 DB08078 ZINC000002541693 |
2 | C22 H26 O7 | InChI=1S/C22H26O7/c1-3-5- 19-20(11-10-18(15(2)23)22 (19)26)28-13-4-12-27-16-6 -8-17(9-7-16)29-14-21(24) 25/h6-11,26H,3-5,12-14H2, 1-2H3,(H,24,25); HBBVCKCCQCQCTJ-UHFFFAOYSA-N |
CCCc1c(O)c(ccc1OCCCOc2ccc(OCC(O)=O)cc2)C (C)=O; O=C(O)COc2ccc(OCCCOc1ccc(C(=O)C)c (O)c1CCC)cc2; CCCc1c(ccc(c1O)C(=O)C)OCCC Oc2ccc(cc2)OCC(=O)O |
{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid |
| 31711 |  L43 CHEMBL4169967 |
2 | C14 H10 N4 O2 | InChI=1S/C14H10N4O2/c19-1 4(20)12-3-1-2-11(8-12)9-4 -6-10(7-5-9)13-15-17-18-1 6-13/h1-8H,(H,19,20)(H,15 ,16,17,18); RYTABHHTUFYVNQ-UHFFFAOYSA-N |
c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3; OC(=O)c1cccc(c1)c2ccc(cc2)c3[nH]nnn3 |
3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid |
| 31712 |  L44 ZINC000040164614 |
0 | C39 H76 O5 | InChI=1S/C39H76O5/c1-3-5- 7-9-11-13-15-16-17-18-19- 20-21-22-24-26-28-30-32-3 4-39(42)44-37(35-40)36-43 -38(41)33-31-29-27-25-23- 14-12-10-8-6-4-2/h37,40H, 3-36H2,1-2H3/t37-/m0/s1; DINFAYNBAABMIP-QNGWXLTQSA-N |
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC (=O)CCCCCCCCCCCCC; O=C(OC(CO)COC(=O)CCCC CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC; CCCCCCC CCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCC CCCCCCCC; CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C O)COC(=O)CCCCCCCCCCCCC |
(2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate |
| 31713 |  L45 CHEMBL4747940 |
1 | C21 H27 N3 O5 S | InChI=1S/C21H27N3O5S/c1-4 -24(5-2)30(28,29)14-10-11 -17(25)16(12-14)23-21(27) 20-15-8-6-7-9-18(26)19(15 )13(3)22-20/h10-12,22,25H ,4-9H2,1-3H3,(H,23,27); RFIBRDFTONIULJ-UHFFFAOYSA-N |
CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c ([nH]2)C)C(=O)CCCC3)O; CCN(CC)[S](=O)(=O )c1ccc(O)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc2 3)c1 |
~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
| 31714 |  L46 CHEMBL3785648 ZINC000048190740 |
2 | C11 H16 N2 O2 | InChI=1S/C11H16N2O2/c1-5- 8-9(7(3)14)6(2)13-10(8)11 (15)12-4/h13H,5H2,1-4H3,( H,12,15); LCSLEHAEHBSCSA-UHFFFAOYSA-N |
CCc1c([nH]c(C)c1C(C)=O)C(=O)NC; O=C(c1c( c(c(n1)C)C(=O)C)CC)NC; CCc1c(c([nH]c1C(= O)NC)C)C(=O)C |
4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide |
| 31715 |  L47 DB03996 ZINC000012504084 |
2 | C17 H15 Cl N2 O2 | InChI=1S/C17H15ClN2O2/c1- 11(21)20-17(12-5-4-6-13(2 2)9-12)10-16(19-20)14-7-2 -3-8-15(14)18/h2-9,17,22H ,10H2,1H3/t17-/m0/s1; QBZAPFWYAPXRGQ-KRWDZBQOSA-N |
CC(=O)N1N=C(C[CH]1c2cccc(O)c2)c3ccccc3Cl ; CC(=O)N1N=C(C[C@H]1c2cccc(O)c2)c3ccccc 3Cl; CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3 cccc(c3)O; O=C(N3N=C(c1ccccc1Cl)CC3c2cc( O)ccc2)C; CC(=O)N1C(CC(=N1)c2ccccc2Cl)c3 cccc(c3)O |
3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL |
| 31716 |  L49 ZINC000073198568 |
1 | C19 H14 F4 N2 O2 | InChI=1S/C19H14F4N2O2/c20 -16-6-4-13(5-7-16)17(11-2 5-9-8-24-12-25)27-18(26)1 4-2-1-3-15(10-14)19(21,22 )23/h1-10,12,17H,11H2/t17 -/m1/s1; FQDXUJLXGMFAIY-QGZVFWFLSA-N |
Fc1ccc(cc1)[CH](Cn2ccnc2)OC(=O)c3cccc(c3 )C(F)(F)F; Fc1ccc(cc1)[C@@H](Cn2ccnc2)OC (=O)c3cccc(c3)C(F)(F)F; c1cc(cc(c1)C(F)( F)F)C(=O)OC(Cn2ccnc2)c3ccc(cc3)F; c1cc(c c(c1)C(F)(F)F)C(=O)O[C@H](Cn2ccnc2)c3ccc (cc3)F; FC(F)(F)c1cccc(c1)C(=O)OC(Cn1ccn c1)c1ccc(F)cc1 |
(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate |
| 31717 |  L4A |
1 | C8 H11 N O5 | InChI=1S/C8H11NO5/c10-3-1 -5-7(8(12)13)9-6(14-5)2-4 -11/h10-11H,1-4H2,(H,12,1 3); PLUGCRBIUHQSBZ-UHFFFAOYSA-N |
OCCc1oc(CCO)c(n1)C(O)=O; C(CO)c1c(nc(o1) CCO)C(=O)O; c1(oc(c(n1)C(=O)O)CCO)CCO |
2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid; Clavulanic Acid, opened form |
| 31718 |  L4B |
1 | C27 H38 O4 | InChI=1S/C27H38O4/c1-24(2 )9-6-10-25(3)18(24)7-11-2 6(4)19(25)8-12-27(5)20(26 )14-15-21(27)16(23(30)31) 13-17(28)22(15)29/h13,18- 20,28-29H,6-12,14H2,1-5H3 ,(H,30,31)/t18-,19+,20-,2 5-,26+,27-/m1/s1; VSODJBVPHOOTEU-OBYLJCASSA-N |
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]3(C)[C@H] 2CC[C@]4(C)[C@@H]3Cc5c(O)c(O)cc(C(O)=O)c 45; C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC [C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C )C)C; CC1(C)CCC[C]2(C)[CH]1CC[C]3(C)[CH] 2CC[C]4(C)[CH]3Cc5c(O)c(O)cc(C(O)=O)c45; CC1(CCCC2(C1CCC3(C2CCC4(C3Cc5c4c(cc(c5O )O)C(=O)O)C)C)C)C |
(4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid; merosterolic acid A |
| 31719 |  L4C ZINC000034239656 |
3 | C10 H14 N2 O8 | InChI=1S/C10H14N2O8/c1-5( 13)11-7(10(18)19)4-20-12- 6(9(16)17)2-3-8(14)15/h7H ,2-4H2,1H3,(H,11,13)(H,14 ,15)(H,16,17)(H,18,19)/b1 2-6+/t7-/m0/s1; ULEFFWARYSNNRF-NYYVKIQXSA-N |
CC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O; C C(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C(O)=O; O=C(O)\C(=N\OCC(NC(=O)C)C(=O)O)CCC(=O)O ; CC(=O)N[C@@H](CO\N=C(/CCC(O)=O)C(O)=O) C(O)=O; CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/ C(=O)O)C(=O)O |
(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID; LACTIVICIN |
| 31720 |  L4D |
2 | C17 H21 Fe N4 O2 | InChI=1S/C17H22N4O2.Fe/c1 -20(12-15-6-2-4-8-18-15)1 0-11-21(14-17(22)23)13-16 -7-3-5-9-19-16;/h2-9H,10- 14H2,1H3,(H,22,23);/q;+3/ p-1; KEGLXUIHTNIIAB-UHFFFAOYSA-M |
C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)( [N]6=CC=CC=C6C3)OC(=O)C4; CN12|[Fe++]|3| 4(OC(=O)CN|3(CC1)Cc5ccccn|45)|n6ccccc6C2 ; O=C5O[Fe+2]346n1ccccc1CN6(CCN4(Cc2cccc n23)C)C5 |
{(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+); {N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl}iron(2+) |
| 31721 |  L4E ZINC000015117529 |
2 | C27 H38 O4 | InChI=1S/C27H38O4/c1-19(2 )9-6-10-20(3)11-7-12-21(4 )13-8-14-22(5)15-16-23-17 -24(27(30)31)18-25(28)26( 23)29/h9,11,13,15,17-18,2 8-29H,6-8,10,12,14,16H2,1 -5H3,(H,30,31)/b20-11+,21 -13+,22-15+; BSKXNBAQBKFMLO-FLPKSHQQSA-N |
CC(=CCCC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C( =O)O)C)C)C)C; CC(=CCC/C(=C/CC/C(=C/CC/C( =C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C; CC( C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c 1O)C(O)=O; CC(C)=CCCC(/C)=C/CCC(/C)=C/CC \C(C)=C\Cc1cc(cc(O)c1O)C(O)=O |
geranylgeranyl dihydroxybenzoate |
| 31722 |  L4F |
1 | C41 H49 N7 O6 S | InChI=1S/C41H49N7O6S/c42- 40(43)45-34-20-17-33(18-2 1-34)39(50)54-28-27-47-23 -25-48(26-24-47)41(51)46- 37(30-32-12-6-2-7-13-32)3 8(49)44-35(19-16-31-10-4- 1-5-11-31)22-29-55(52,53) 36-14-8-3-9-15-36/h1-15,1 7-18,20-21,35,37H,16,19,2 2-30H2,(H,44,49)(H,46,51) (H4,42,43,45)/t35-,37-/m0 /s1; GRAYNEZFLQHYCO-JSXFGMRASA-N |
c1ccc(cc1)CCC(CCS(=O)(=O)c2ccccc2)NC(=O) C(Cc3ccccc3)NC(=O)N4CCN(CC4)CCOC(=O)c5cc c(cc5)NC(=N)N; NC(=N)Nc1ccc(cc1)C(=O)OCC N2CCN(CC2)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH ](CCc4ccccc4)CC[S](=O)(=O)c5ccccc5; [H]/ N=C(/N)\Nc1ccc(cc1)C(=O)OCCN2CCN(CC2)C(= O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCc4ccc cc4)CCS(=O)(=O)c5ccccc5; NC(=N)Nc1ccc(cc 1)C(=O)OCCN2CCN(CC2)C(=O)N[C@@H](Cc3cccc c3)C(=O)N[C@@H](CCc4ccccc4)CC[S](=O)(=O) c5ccccc5 |
2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate |
| 31723 |  L4G CHEMBL243789 ZINC000003937997 |
1 | C30 H31 N O5 S | InChI=1S/C30H31NO5S/c1-37 (33,34)27-13-5-22(6-14-27 )28-15-7-23-21-24(32)8-16 -29(23)30(28)36-26-11-9-2 5(10-12-26)35-20-19-31-17 -3-2-4-18-31/h5-16,21,32H ,2-4,17-20H2,1H3; NJVFOFMHUJJIMB-UHFFFAOYSA-N |
O=S(=O)(c1ccc(cc1)c5ccc2c(ccc(O)c2)c5Oc4 ccc(OCCN3CCCCC3)cc4)C; CS(=O)(=O)c1ccc(c c1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5 )O; C[S](=O)(=O)c1ccc(cc1)c2ccc3cc(O)ccc 3c2Oc4ccc(OCCN5CCCCC5)cc4 |
6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL |
| 31724 |  L4H |
1 | C22 H30 O4 | InChI=1S/C22H30O4/c1-15(2 )7-5-8-16(3)9-6-10-17(4)1 1-12-18-13-19(22(25)26)14 -20(23)21(18)24/h7,9,11,1 3-14,23-24H,5-6,8,10,12H2 ,1-4H3,(H,25,26)/b16-9+,1 7-11+; VWHKYMBCXCSQEZ-BTMZFSHUSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C( O)=O; CC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C( =O)O)C)C)C; CC(=CCC/C(=C/CC/C(=C/Cc1cc(c c(c1O)O)C(=O)O)/C)/C)C; CC(C)=CCC\C(C)=C \CCC(/C)=C/Cc1cc(cc(O)c1O)C(O)=O |
farnesyl dihydroxybenzoate |
| 31725 |  L4I ZINC000002560458 |
1 | C9 H9 Cl O2 | InChI=1S/C9H9ClO2/c10-6-5 -7-1-3-8(4-2-7)9(11)12/h1 -4H,5-6H2,(H,11,12); OOAPBGPLZAFZSO-UHFFFAOYSA-N |
ClCCc1ccc(cc1)C(=O)O; c1cc(ccc1CCCl)C(=O )O; OC(=O)c1ccc(CCCl)cc1 |
4-(2-chloroethyl)benzoic acid |
| 31726 |  L4J CHEMBL385374 ZINC000014961984 |
3 | C34 H52 N4 O4 S | InChI=1S/C34H52N4O4S/c1-6 -8-16-32(34(40)36-23-25(3 )4)35-24-30-20-27-15-11-1 4-26(18-27)12-9-10-13-28- 19-29(33(39)37-30)22-31(2 1-28)38(17-7-2)43(5,41)42 /h11,14-15,18-19,21-22,25 ,30,32,35H,6-10,12-13,16- 17,20,23-24H2,1-5H3,(H,36 ,40)(H,37,39)/t30-,32-/m0 /s1; JRTACURQOKVHSE-CDZUIXILSA-N |
CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc (c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O )N1; CCCC[C@H](NC[C@@H]1Cc2cccc(CCCCc3cc (cc(c3)C(=O)N1)N(CCC)[S](C)(=O)=O)c2)C(= O)NCC(C)C; c32cccc(CC(NC(=O)c1cc(cc(c1)C CCC2)N(CCC)S(=O)(C)=O)CNC(C(=O)NCC(C)C)C CCC)c3; CCCC[CH](NC[CH]1Cc2cccc(CCCCc3cc (cc(c3)C(=O)N1)N(CCC)[S](C)(=O)=O)c2)C(= O)NCC(C)C; CCCCC(C(=O)NCC(C)C)NCC1Cc2ccc c(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(= O)N1 |
N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide |
| 31727 |  L4K CHEMBL444536 ZINC000002464613 |
1 | C11 H17 N O2 S | InChI=1S/C11H17NO2S/c1-2- 3-4-5-10-6-8-11(9-7-10)15 (12,13)14/h6-9H,2-5H2,1H3 ,(H2,12,13,14); XXGOKBCTMIKJHF-UHFFFAOYSA-N |
CCCCCc1ccc(cc1)[S](N)(=O)=O; CCCCCc1ccc( cc1)S(=O)(=O)N |
4-pentylbenzenesulfonamide |
| 31728 |  L4L |
1 | C13 H21 N O11 S | InChI=1S/C13H21NO11S/c1-3 -8(17)7(14-6(2)16)5-23-13 -11(19)12(25-26(20,21)22) 10(18)9(4-15)24-13/h3,7,9 -13,15,18-19H,1,4-5H2,2H3 ,(H,14,16)(H,20,21,22)/t7 -,9+,10-,11+,12-,13+/m0/s 1; XMURRHZYXOXPBZ-FJUAUIJYSA-N |
CC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH]( O[S](O)(=O)=O)[CH]1O)C(=O)C=C; CC(=O)N[C @@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[ S](O)(=O)=O)[C@H]1O)C(=O)C=C; CC(=O)NC(C OC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(=O)C= C; CC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C @H]([C@H](O1)CO)O)OS(=O)(=O)O)O)C(=O)C=C |
[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S})-2-acetamido-3-oxidanylidene-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate |
| 31729 |  L4M |
8 | C15 H18 O4 | InChI=1S/C15H18O4/c16-14( 17)9-13-3-1-2-12(13)8-10- 4-6-11(7-5-10)15(18)19/h4 -7,12-13H,1-3,8-9H2,(H,16 ,17)(H,18,19)/t12-,13-/m0 /s1; MXTHRYIVPLVGFC-STQMWFEESA-N |
C1(CCCC1CC(O)=O)Cc2ccc(cc2)C(O)=O; OC(=O )C[CH]1CCC[CH]1Cc2ccc(cc2)C(O)=O; c1cc(c cc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O; OC(= O)C[C@@H]1CCC[C@H]1Cc2ccc(cc2)C(O)=O; c1 cc(ccc1CC2CCCC2CC(=O)O)C(=O)O |
4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid |
| 31730 |  L4N |
1 | C14 H18 N2 O | InChI=1S/C14H18N2O/c1-10- 3-7-15-9-12(10)16-13(17)1 1-2-4-14(8-11)5-6-14/h3,7 ,9,11H,2,4-6,8H2,1H3,(H,1 6,17)/t11-/m1/s1; FNCISWRYQRGLKF-LLVKDONJSA-N |
Cc1ccncc1NC(=O)[CH]2CCC3(CC3)C2; O=C(Nc1 cnccc1C)C1CCC2(CC2)C1; Cc1ccncc1NC(=O)[C @@H]2CCC3(C2)CC3; Cc1ccncc1NC(=O)[C@@H]2 CCC3(CC3)C2; Cc1ccncc1NC(=O)C2CCC3(C2)CC 3 |
(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide |
| 31731 |  L4O ZINC000000403198 |
2 | C10 H18 N2 O2 | InChI=1S/C10H18N2O2/c1-10 (2,3)14-9(13)12-6-7-4-8(1 2)5-11-7/h7-8,11H,4-6H2,1 -3H3/t7-,8-/m0/s1; UXAWXZDXVOYLII-YUMQZZPRSA-N |
CC(C)(C)OC(=O)N1CC2CC1CN2; CC(C)(C)OC(=O )N1C[CH]2C[CH]1CN2; CC(C)(C)OC(=O)N1C[C@ @H]2C[C@H]1CN2 |
tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
| 31732 |  L4P |
0 | C46 H95 O8 P | InChI=1S/C46H95O8P/c1-37( 2)17-11-19-39(5)21-13-23- 41(7)25-15-27-43(9)29-31- 51-35-46(36-54-55(49,50)5 3-34-45(48)33-47)52-32-30 -44(10)28-16-26-42(8)24-1 4-22-40(6)20-12-18-38(3)4 /h37-48H,11-36H2,1-10H3,( H,49,50)/t39-,40?,41-,42? ,43-,44-,45-,46+/m1/s1; AFYVWQWWQKSZEV-WGOBCRBGSA-N |
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C )CCOC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)O CC[C@H](C)CCCC(C)CCCC(C)CCCC(C)C; CC(C)C CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[ C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H ](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C; CC(C )CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH]( CO[P](O)(=O)OC[CH](O)CO)OCC[CH](C)CCCC(C )CCCC(C)CCCC(C)C; O=P(O)(OCC(O)CO)OCC(OC CC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC (C)CCCC(C)CCCC(C)C; CC(C)CCCC(C)CCCC(C)C CCC(C)CCOCC(COP(=O)(O)OCC(CO)O)OCCC(C)CC CC(C)CCCC(C)CCCC(C)C |
3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL; 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL |
| 31733 |  L4Q |
1 | C12 H19 N O2 S | InChI=1S/C12H19NO2S/c1-2- 3-4-5-6-11-7-9-12(10-8-11 )16(13,14)15/h7-10H,2-6H2 ,1H3,(H2,13,14,15); QGCVBPONRAFDHS-UHFFFAOYSA-N |
CCCCCCc1ccc(cc1)S(=O)(=O)N; CCCCCCc1ccc( cc1)[S](N)(=O)=O |
4-hexylbenzenesulfonamide |
| 31734 |  L4R ZINC000095949883 |
0 | C11 H21 N O2 | InChI=1S/C11H21NO2/c1-3-4 -5-6-7-8-9-11(2,12)10(13) 14/h3H,1,4-9,12H2,2H3,(H, 13,14)/t11-/m1/s1; JWZFECWHKQLRGK-LLVKDONJSA-N |
C[C@@](CCCCCCC=C)(C(=O)O)N; C[C](N)(CCCC CCC=C)C(O)=O; CC(CCCCCCC=C)(C(=O)O)N; C[ C@@](N)(CCCCCCC=C)C(O)=O |
Fmoc-(R)-2-(7-octenyl)alanine |
| 31735 |  L4S |
1 | C25 H29 N7 O6 | InChI=1S/C25H29N7O6/c26-2 0-8-9-32(25(37)27-20)23-1 1-18(34)19(38-23)12-31-13 -21(29-30-31)28-22(35)10- 14-4-3-6-15(14)24(36)16-5 -1-2-7-17(16)33/h1-2,5,7- 9,13-15,18-19,23,33-34H,3 -4,6,10-12H2,(H,28,35)(H2 ,26,27,37)/t14-,15+,18-,1 9+,23+/m0/s1; QYQWONZWXIVWAC-CBSYKJJGSA-N |
NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](C n3cc(NC(=O)C[C@@H]4CCC[C@H]4C(=O)c5ccccc 5O)nn3)O2; C(=O)(Nc3nnn(CC2C(CC(N1C=CC(N )=NC1=O)O2)O)c3)CC5CCCC5C(c4ccccc4O)=O; c1ccc(c(c1)C(=O)C2CCCC2CC(=O)Nc3cn(nn3)C C4C(CC(O4)N5C=CC(=NC5=O)N)O)O; NC1=NC(=O )N(C=C1)[CH]2C[CH](O)[CH](Cn3cc(NC(=O)C[ CH]4CCC[CH]4C(=O)c5ccccc5O)nn3)O2; c1ccc (c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)Nc3cn(n n3)C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5= O)N)O)O |
2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine |
| 31736 |  L4T CHEMBL1241348 DB11808 ZINC000150339145 |
2 | C40 H49 Br N6 O9 S | InChI=1S/C40H49BrN6O9S/c1 -8-21-17-40(21,36(51)52)4 6-34(49)27-15-23(18-47(27 )35(50)32(39(4,5)6)44-38( 53)56-22-11-9-10-12-22)55 -29-16-25(26-19-57-37(43- 26)45-33(48)20(2)3)42-31- 24(29)13-14-28(54-7)30(31 )41/h8,13-14,16,19-23,27, 32H,1,9-12,15,17-18H2,2-7 H3,(H,44,53)(H,46,49)(H,5 1,52)(H,43,45,48)/t21-,23 -,27+,32-,40-/m1/s1; LLGDPTDZOVKFDU-XUHJSTDZSA-N |
CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br )OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)( C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C =C)C(=O)O; O=C(Nc6nc(c4nc5c(c(OC3CC(C(=O )NC1(C(=O)O)CC1/C=C)N(C(=O)C(NC(=O)OC2CC CC2)C(C)(C)C)C3)c4)ccc(OC)c5Br)cs6)C(C)C ; COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](N C(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5 C=C)C(O)=O)cc(nc2c1Br)c6csc(NC(=O)C(C)C) n6; CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n 2)Br)OC)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O )OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O; COc1cc c2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(= O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5 C=C)C(O)=O)cc(nc2c1Br)c6csc(NC(=O)C(C)C) n6 |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide |
| 31737 |  L4U |
1 | C13 H20 N2 O | InChI=1S/C13H20N2O/c1-9(2 )11(4)7-13(16)15-12-8-14- 6-5-10(12)3/h5-6,8-9,11H, 7H2,1-4H3,(H,15,16)/t11-/ m0/s1; PPQIRWKGFHIKDH-NSHDSACASA-N |
O=C(Nc1cnccc1C)CC(C)C(C)C; CC(C)[CH](C)C C(=O)Nc1cnccc1C; Cc1ccncc1NC(=O)C[C@H](C )C(C)C; CC(C)[C@@H](C)CC(=O)Nc1cnccc1C; Cc1ccncc1NC(=O)CC(C)C(C)C |
(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide |
| 31738 |  L4V ZINC000095921418 |
1 | C18 H22 Cl N O4 | InChI=1S/C18H22ClNO4/c1-2 0-9-7-5-3-2-4-6-8-12(21)1 0-13-16(18(20)24)14(22)11 -15(23)17(13)19/h2-3,11,2 2-23H,4-10H2,1H3/b3-2-; XARNDFBZFLICCU-IHWYPQMZSA-N |
CN1CCC\C=C/CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1 =O; O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCC=CCC CN2C; CN1CCCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O) c2C1=O; CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2C l)O)O)C1=O; CN1CCCC=CCCCC(=O)Cc2c(c(cc(c 2Cl)O)O)C1=O |
13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione |
| 31739 |  L4W ZINC000036533128 |
2 | C11 H17 N O3 S | InChI=1S/C11H17NO3S/c1-2- 3-4-9-15-10-5-7-11(8-6-10 )16(12,13)14/h5-8H,2-4,9H 2,1H3,(H2,12,13,14); JFSAJYVAWXIPQG-UHFFFAOYSA-N |
CCCCCOc1ccc(cc1)S(=O)(=O)N; CCCCCOc1ccc( cc1)[S](N)(=O)=O |
4-pentoxybenzenesulfonamide |
| 31740 |  L4X CHEMBL5191076 |
1 | C31 H36 N4 O3 | InChI=1S/C31H36N4O3/c1-23 -16-18-25(19-17-23)20-28( 30(37)32-2)35-31(38)27(15 -9-14-24-10-5-3-6-11-24)3 4-29(36)22-33-21-26-12-7- 4-8-13-26/h3-14,16-19,27- 28,33H,15,20-22H2,1-2H3,( H,32,37)(H,34,36)(H,35,38 )/b14-9+/t27-,28+/m1/s1; RVVSAVHSOSLVLN-CFHHOXAGSA-N |
Cc1ccc(cc1)C[C@@H](C(=O)NC)NC(=O)[C@@H]( C/C=C/c2ccccc2)NC(=O)CNCc3ccccc3; CNC(=O )[CH](Cc1ccc(C)cc1)NC(=O)[CH](CC=Cc2cccc c2)NC(=O)CNCc3ccccc3; CNC(=O)[C@H](Cc1cc c(C)cc1)NC(=O)[C@@H](C/C=C/c2ccccc2)NC(= O)CNCc3ccccc3; Cc1ccc(cc1)CC(C(=O)NC)NC( =O)C(CC=Cc2ccccc2)NC(=O)CNCc3ccccc3; CNC (=O)C(Cc1ccc(C)cc1)NC(=O)C(C/C=C/c1ccccc 1)NC(=O)CNCc1ccccc1 |
Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide |
| 31741 |  L4Y CHEMBL4788837 |
2 | C19 H22 N4 O3 | InChI=1S/C19H22N4O3/c1-11 -7-8-13-12(9-11)17(22-21- 13)18(24)20-14-10-26-16-6 -4-3-5-15(16)23(2)19(14)2 5/h3-6,11,14H,7-10H2,1-2H 3,(H,20,24)(H,21,22)/t11- ,14+/m1/s1; LOTYATKNTZKNHI-RISCZKNCSA-N |
C[CH]1CCc2n[nH]c(C(=O)N[CH]3COc4ccccc4N( C)C3=O)c2C1; C[C@@H]1CCc2n[nH]c(C(=O)N[C @H]3COc4ccccc4N(C)C3=O)c2C1; CC1CCc2c(c( [nH]n2)C(=O)NC3COc4ccccc4N(C3=O)C)C1; C4 c3c(c(C(=O)NC1C(N(c2c(OC1)cccc2)C)=O)nn3 )CC(C4)C; C[C@@H]1CCc2c(c([nH]n2)C(=O)N[ C@H]3COc4ccccc4N(C3=O)C)C1 |
(5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide |
| 31742 |  L4Z |
1 | C7 H11 N3 O2 | InChI=1S/C7H11N3O2/c1-5-3 -6(10(2)9-5)4-8-7(11)12/h 3,8H,4H2,1-2H3,(H,11,12); GIQHHEQBVBVTAS-UHFFFAOYSA-N |
Cc1cc(n(n1)C)CNC(=O)O; Cn1nc(C)cc1CNC(O) =O |
(2,5-dimethylpyrazol-3-yl)methylcarbamic acid |
| 31743 |  L50 ZINC000584905593 |
2 | C15 H24 N O5 P | InChI=1S/C15H24NO5P/c1-12 -6-8-13(9-7-12)4-3-5-14(1 1-22(19,20)21)10-15(17)16 (2)18/h6-9,14,18H,3-5,10- 11H2,1-2H3,(H2,19,20,21)/ t14-/m1/s1; PCPXBXKPZNRAMA-CQSZACIVSA-N |
CN(O)C(=O)C[C@@H](CCCc1ccc(C)cc1)C[P](O) (O)=O; O=P(O)(O)CC(CC(=O)N(C)O)CCCc1ccc( cc1)C; Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)C P(=O)(O)O; CN(O)C(=O)C[CH](CCCc1ccc(C)cc 1)C[P](O)(O)=O; Cc1ccc(cc1)CCCC(CC(=O)N( C)O)CP(=O)(O)O |
[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid |
| 31744 |  L51 CHEMBL570427 ZINC000045259200 |
2 | C30 H31 N7 O | InChI=1S/C30H31N7O/c1-19- 8-11-23(12-9-19)37-28(18- 27(36-37)30(2,3)4)35-29(3 8)34-22-7-5-6-21(17-22)33 -26-14-15-32-25-13-10-20( 31)16-24(25)26/h5-18H,31H 2,1-4H3,(H,32,33)(H2,34,3 5,38); VOLXCNVOKHMTKN-UHFFFAOYSA-N |
O=C(Nc3cccc(Nc1c2cc(N)ccc2ncc1)c3)Nc5cc( nn5c4ccc(cc4)C)C(C)(C)C; Cc1ccc(cc1)n2c( cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5 c4cc(cc5)N; Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3 cccc(Nc4ccnc5ccc(N)cc45)c3)C(C)(C)C |
1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea |
| 31745 |  L52 ZINC000003818660 |
4 | C20 H17 N3 O3 | InChI=1S/C20H17N3O3/c21-1 4-18(20(25)23-26)22-19(24 )17-12-10-16(11-13-17)9-5 -4-8-15-6-2-1-3-7-15/h1-3 ,6-7,10-13,18,26H,14,21H2 ,(H,22,24)(H,23,25)/t18-/ m0/s1; RMTUQHBOIGEBSC-SFHVURJKSA-N |
NC[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)C (=O)NO; O=C(NC(C(=O)NO)CN)c2ccc(C#CC#Cc1 ccccc1)cc2; c1ccc(cc1)C#CC#Cc2ccc(cc2)C( =O)N[C@@H](CN)C(=O)NO; NC[CH](NC(=O)c1cc c(cc1)C#CC#Cc2ccccc2)C(=O)NO; c1ccc(cc1) C#CC#Cc2ccc(cc2)C(=O)NC(CN)C(=O)NO |
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide |
| 31746 |  L53 ZINC000064746693 |
1 | C21 H17 N3 O4 | InChI=1S/C21H17N3O4/c1-14 (25)19(21(27)24-28)23-20( 26)17-10-6-15(7-11-17)4-2 -3-5-16-8-12-18(22)13-9-1 6/h6-14,19,25H,22H2,1H3,( H,23,26)/t14-,19-/m0/s1; DRMPSCRMGWDCMO-LIRRHRJNSA-N |
C[C@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2c cc(N)cc2)C(=O)N=O; C[CH](O)[CH](NC(=O)c1 ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)N=O; CC(C (C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc 2)N)O; O=NC(=O)C(NC(=O)c2ccc(C#CC#Cc1ccc (N)cc1)cc2)C(O)C; C[C@@H]([C@@H](C(=O)N= O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O |
4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide |
| 31747 |  L54 ZINC000584905594 |
2 | C15 H21 F3 N O5 P | InChI=1S/C15H21F3NO5P/c1- 19(21)14(20)9-12(10-25(22 ,23)24)4-2-3-11-5-7-13(8- 6-11)15(16,17)18/h5-8,12, 21H,2-4,9-10H2,1H3,(H2,22 ,23,24)/t12-/m1/s1; QJHOMBPUEUGKSC-GFCCVEGCSA-N |
CN(C(=O)CC(CCCc1ccc(cc1)C(F)(F)F)CP(=O)( O)O)O; CN(O)C(=O)C[CH](CCCc1ccc(cc1)C(F) (F)F)C[P](O)(O)=O; CN(C(=O)C[C@@H](CCCc1 ccc(cc1)C(F)(F)F)CP(=O)(O)O)O; CN(O)C(=O )C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C[P](O)(O )=O; O=C(CC(CP(O)(O)=O)CCCc1ccc(cc1)C(F) (F)F)N(O)C |
{(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid |
| 31748 |  L55 CHEMBL4159477 |
1 | C26 H26 N6 O3 S | InChI=1S/C26H26N6O3S/c1-1 7-10-18(2)29-26(28-17)36- 16-24(33)30-21-7-4-6-19(1 1-21)15-35-23-9-5-8-22(12 -23)31-25(34)20-13-27-32( 3)14-20/h4-14H,15-16H2,1- 3H3,(H,30,33)(H,31,34); SLKIFBBCZNLTHR-UHFFFAOYSA-N |
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c 3)NC(=O)c4cnn(c4)C)C; Cn1cc(cn1)C(=O)Nc2 cccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3) c2 |
N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide |
| 31749 |  L56 ZINC000584905591 |
2 | C15 H24 N O5 P | InChI=1S/C15H24NO5P/c1-12 -5-3-6-13(9-12)7-4-8-14(1 1-22(19,20)21)10-15(17)16 (2)18/h3,5-6,9,14,18H,4,7 -8,10-11H2,1-2H3,(H2,19,2 0,21)/t14-/m1/s1; LKGTWQXFDFYGBW-CQSZACIVSA-N |
CN(O)C(=O)C[CH](CCCc1cccc(C)c1)C[P](O)(O )=O; O=P(O)(O)CC(CC(=O)N(C)O)CCCc1cc(ccc 1)C; Cc1cccc(c1)CCCC(CC(=O)N(C)O)CP(=O)( O)O; Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP( =O)(O)O; CN(O)C(=O)C[C@@H](CCCc1cccc(C)c 1)C[P](O)(O)=O |
[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid |
| 31750 |  L57 ZINC000584905592 |
2 | C15 H11 Cl2 N O3 | InChI=1S/C15H11Cl2NO3/c16 -12-7-6-11(8-13(12)17)15( 18-21-9-14(19)20)10-4-2-1 -3-5-10/h1-8H,9H2,(H,19,2 0)/b18-15-; MCSPXNMZLCEQOD-SDXDJHTJSA-N |
OC(=O)CON=C(c1ccccc1)c2ccc(Cl)c(Cl)c2; O C(=O)CO\N=C(c1ccccc1)/c2ccc(Cl)c(Cl)c2; Clc2c(cc(/C(c1ccccc1)=N\OCC(O)=O)cc2)Cl; c1ccc(cc1)C(=NOCC(=O)O)c2ccc(c(c2)Cl)Cl ; c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)C l)Cl |
({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid |
| 31751 |  L58 ZINC000003818667 |
4 | C17 H17 Br N2 O4 | InChI=1S/C17H17BrN2O4/c1- 10(21)15(17(23)20-24)19-1 6(22)13-4-2-11(3-5-13)12- 6-8-14(18)9-7-12/h2-10,15 ,21,24H,1H3,(H,19,22)(H,2 0,23)/t10-,15+/m1/s1; OEJYZUMESQZYFQ-BMIGLBTASA-N |
C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2 ccc(cc2)Br)O; C[C@@H](O)[C@H](NC(=O)c1cc c(cc1)c2ccc(Br)cc2)C(=O)NO; Brc2ccc(c1cc c(C(=O)NC(C(=O)NO)C(O)C)cc1)cc2; C[CH](O )[CH](NC(=O)c1ccc(cc1)c2ccc(Br)cc2)C(=O) NO; CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(c c2)Br)O |
4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide |
| 31752 |  L59 ZINC000003818659 |
4 | C19 H18 N2 O4 | InChI=1S/C19H18N2O4/c1-13 (22)17(19(24)21-25)20-18( 23)16-11-9-15(10-12-16)8- 7-14-5-3-2-4-6-14/h2-6,9- 13,17,22,25H,1H3,(H,20,23 )(H,21,24)/t13-,17+/m1/s1; SFYISUPIFOZKLQ-DYVFJYSZSA-N |
CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2 )O; C[CH](O)[CH](NC(=O)c1ccc(cc1)C#Cc2cc ccc2)C(=O)NO; O=C(NC(C(=O)NO)C(O)C)c2ccc (C#Cc1ccccc1)cc2; C[C@H]([C@@H](C(=O)NO) NC(=O)c1ccc(cc1)C#Cc2ccccc2)O; C[C@@H](O )[C@H](NC(=O)c1ccc(cc1)C#Cc2ccccc2)C(=O) NO |
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide |
| 31753 |  L5A |
8 | C16 H20 O4 | InChI=1S/C16H20O4/c17-15( 18)9-12-6-4-11(5-7-12)8-1 3-2-1-3-14(13)10-16(19)20 /h4-7,13-14H,1-3,8-10H2,( H,17,18)(H,19,20)/t13-,14 -/m0/s1; QKXFMUHRVZWRPO-KBPBESRZSA-N |
OC(=O)C[C@@H]1CCC[C@H]1Cc2ccc(CC(O)=O)cc 2; c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC( =O)O; C1(C(CC(O)=O)CCC1)Cc2ccc(cc2)CC(O) =O; OC(=O)C[CH]1CCC[CH]1Cc2ccc(CC(O)=O)c c2; c1cc(ccc1CC2CCCC2CC(=O)O)CC(=O)O |
(4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid |
| 31754 |  L5B CHEMBL4475463 |
2 | C31 H30 Cl2 F N O3 | InChI=1S/C31H30Cl2FNO3/c3 2-23-8-12-27(29(33)18-23) 28-4-1-3-21-17-22(31(36)3 7)7-11-26(21)30(28)20-5-9 -24(10-6-20)38-25-13-16-3 5(19-25)15-2-14-34/h5-12, 17-18,25H,1-4,13-16,19H2, (H,36,37)/t25-/m0/s1; KISZAGQTIXIVAR-VWLOTQADSA-N |
c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc (cc4Cl)Cl)OC5CCN(C5)CCCF; OC(=O)c1ccc2c( CCCC(=C2c3ccc(O[CH]4CCN(CCCF)C4)cc3)c5cc c(Cl)cc5Cl)c1; c1cc(ccc1C2=C(CCCc3c2ccc( c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)C CCF; OC(=O)c1ccc2c(CCCC(=C2c3ccc(O[C@H]4 CCN(CCCF)C4)cc3)c5ccc(Cl)cc5Cl)c1 |
6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid |
| 31755 |  L5C CHEMBL4170094 |
1 | C26 H26 N6 O3 S | InChI=1S/C26H26N6O3S/c1-1 7-11-18(2)29-26(28-17)36- 16-24(33)30-22-6-4-5-19(1 2-22)15-35-23-9-7-21(8-10 -23)31-25(34)20-13-27-32( 3)14-20/h4-14H,15-16H2,1- 3H3,(H,30,33)(H,31,34); NPUWKDPBMLZNJM-UHFFFAOYSA-N |
Cn1cc(cn1)C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc 4nc(C)cc(C)n4)c3)cc2; Cc1cc(nc(n1)SCC(=O )Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C )C |
N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide |
| 31756 |  L5D CHEMBL4170450 ZINC000000193228 |
4 | C14 H12 O2 | InChI=1S/C14H12O2/c1-10-4 -2-5-11(8-10)12-6-3-7-13( 9-12)14(15)16/h2-9H,1H3,( H,15,16); BJVLFJADOVATRU-UHFFFAOYSA-N |
Cc1cccc(c1)c2cccc(c2)C(O)=O; Cc1cccc(c1) c2cccc(c2)C(=O)O |
3-(3-methylphenyl)benzoic acid |
| 31757 |  L5E |
1 | C11 H14 Br2 N O2 | InChI=1S/C11H13Br2NO2/c12 -8-2-3-9(13)7-5-11(15,16) 10(14)4-1-6(7)8/h2-3,10,1 5-16H,1,4-5,14H2/p+1/t10- /m0/s1; JKSZJUHJLDPZJQ-JTQLQIEISA-O |
c1cc(c2c(c1Br)CCC(C(C2)(O)O)[NH3+])Br; [ NH3+][CH]1CCc2c(Br)ccc(Br)c2CC1(O)O; c1c c(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br; [NH3+][C@H]1CCc2c(Br)ccc(Br)c2CC1(O)O |
[(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
| 31758 |  L5F |
1 | C30 H32 N4 O7 S | InChI=1S/C30H32N4O7S/c1-1 8-4-5-21-15-25(18)20(3)34 -17-22-14-23(6-9-28(22)41 -42(34,37)38)40-13-12-39- 11-10-33-27-8-7-24(26(21) 16-29(35)36)19(2)30(27)31 -32-33/h4-9,14-15,20,26H, 10-13,16-17H2,1-3H3,(H,35 ,36)/t20-,26+/m1/s1; CAHCZMVBPKUGCY-IBVKSMDESA-N |
C[CH]1[N]2Cc3cc(OCCOCCn4nnc5c(C)c(ccc45) [CH](CC(O)=O)c6ccc(C)c1c6)ccc3O[S]2(=O)= O; C[C@H]1[N@@]2Cc3cc(OCCOCCn4nnc5c(C)c( ccc45)[C@@H](CC(O)=O)c6ccc(C)c1c6)ccc3O[ S]2(=O)=O; Cc1ccc2cc1[C@H]([N@@]3Cc4cc(c cc4OS3(=O)=O)OCCOCCn5c6ccc(c(c6nn5)C)[C@ H]2CC(=O)O)C; Cc1ccc2cc1C(N3Cc4cc(ccc4OS 3(=O)=O)OCCOCCn5c6ccc(c(c6nn5)C)C2CC(=O) O)C |
2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid |
| 31759 |  L5G CHEMBL496102 DB08079 ZINC000034285235 |
1 | C22 H17 N5 O2 | InChI=1S/C22H17N5O2/c1-28 -16-7-8-17-19(13-16)23-12 -11-20(17)29-14-22-25-24- 21-10-9-18(26-27(21)22)15 -5-3-2-4-6-15/h2-13H,14H2 ,1H3; HEAIZQNMNCHNFD-UHFFFAOYSA-N |
n1c(ccc2nnc(n12)COc3c4ccc(OC)cc4ncc3)c5c cccc5; COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc 4)c5ccccc5; COc1ccc2c(OCc3nnc4ccc(nn34)c 5ccccc5)ccnc2c1 |
7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline |
| 31760 |  L5H |
1 | C19 H12 F3 N5 O3 | InChI=1S/C19H12F3N5O3/c20 -19(21,22)12-8-13-15(9-14 (12)26-7-6-23-10-26)27(18 (30)17(29)24-13)25-16(28) 11-4-2-1-3-5-11/h1-10H,(H ,24,29)(H,25,28); IOLCYQPDALFXJR-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C (F)(F)F)n4ccnc4; FC(F)(F)c1cc2NC(=O)C(=O )N(NC(=O)c3ccccc3)c2cc1n4ccnc4 |
~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide |
| 31761 |  L5I |
1 | C13 H18 N2 O | InChI=1S/C13H18N2O/c1-9-5 -6-14-8-12(9)15-13(16)10( 2)7-11-3-4-11/h5-6,8,10-1 1H,3-4,7H2,1-2H3,(H,15,16 )/t10-/m1/s1; SRXLGHBNKKQZHE-SNVBAGLBSA-N |
Cc1ccncc1NC(=O)C(C)CC2CC2; O=C(Nc1cnccc1 C)C(C)CC1CC1; Cc1ccncc1NC(=O)[C@H](C)CC2 CC2; C[C@H](CC1CC1)C(=O)Nc2cnccc2C; C[CH ](CC1CC1)C(=O)Nc2cnccc2C |
(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
| 31762 |  L5J |
4 | C16 H20 O4 | InChI=1S/C16H20O4/c17-15( 18)9-12-6-4-11(5-7-12)8-1 3-2-1-3-14(13)10-16(19)20 /h4-7,13-14H,1-3,8-10H2,( H,17,18)(H,19,20)/t13-,14 -/m1/s1; QKXFMUHRVZWRPO-ZIAGYGMSSA-N |
C1(C(CC(O)=O)CCC1)Cc2ccc(cc2)CC(O)=O; OC (=O)C[CH]1CCC[CH]1Cc2ccc(CC(O)=O)cc2; c1 cc(ccc1CC2CCCC2CC(=O)O)CC(=O)O; OC(=O)C[ C@H]1CCC[C@@H]1Cc2ccc(CC(O)=O)cc2; c1cc( ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O |
(4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid |
| 31763 |  L5K |
16 | C22 H17 N3 O7 S | InChI=1S/C22H17N3O7S/c26- 21(22(27)8-9-22)23-13-2-1 -3-14(10-13)24-33(30,31)1 6-5-7-19-18(12-16)17-6-4- 15(25(28)29)11-20(17)32-1 9/h1-7,10-12,24,27H,8-9H2 ,(H,23,26); FIPNFNFASWRACL-UHFFFAOYSA-N |
c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc 4o3)[N+](=O)[O-])NC(=O)C5(CC5)O; OC1(CC1 )C(=O)Nc2cccc(N[S](=O)(=O)c3ccc4oc5cc(cc c5c4c3)[N+]([O-])=O)c2 |
~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide |
| 31764 |  L5L ZINC000000107357 |
1 | C14 H15 N O S | InChI=1S/C14H15NOS/c1-16- 11-4-2-10(3-5-11)14-12-7- 9-17-13(12)6-8-15-14/h2-5 ,7,9,14-15H,6,8H2,1H3/t14 -/m1/s1; YZMKEDMYYJQGRD-CQSZACIVSA-N |
COc1ccc(cc1)C2c3ccsc3CCN2; COc1ccc(cc1)[ CH]2NCCc3sccc23; COc1ccc(cc1)C1NCCc2sccc 21; COc1ccc(cc1)[C@@H]2c3ccsc3CCN2; COc1 ccc(cc1)[C@H]2NCCc3sccc23 |
(4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |
| 31765 |  L5N |
16 | C21 H13 Cl N2 O5 S | InChI=1S/C21H13ClN2O5S/c2 2-16-9-8-15(30-16)18(25)2 3-14-3-1-2-13-17(14)20(27 )24(19(13)26)10-11-4-6-12 (7-5-11)21(28)29/h1-9H,10 H2,(H,23,25)(H,28,29); IOFCJSIYHLICRV-UHFFFAOYSA-N |
c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2= O)Cc4ccc(cc4)C(=O)O; OC(=O)c1ccc(CN2C(=O )c3cccc(NC(=O)c4sc(Cl)cc4)c3C2=O)cc1 |
4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid |
| 31766 |  L5P ZINC000263620404 |
0 | C11 H23 N2 O9 P | InChI=1S/C11H23N2O9P/c12- 7(11(17)18)3-1-2-4-13-5-8 (14)10(16)9(15)6-22-23(19 ,20)21/h7,9-10,13,15-16H, 1-6,12H2,(H,17,18)(H2,19, 20,21)/t7-,9+,10-/m0/s1; FCAUVIWDSGPTCC-SFGNSQDASA-N |
C(CCNCC(=O)C(C(COP(=O)(O)O)O)O)CC(C(=O)O )N; N[C@@H](CCCCNCC(=O)[C@H](O)[C@H](O)C O[P](O)(O)=O)C(O)=O; NC(C(O)=O)CCCCNCC(= O)C(O)C(COP(O)(O)=O)O; C(CCNCC(=O)[C@@H] ([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N ; N[CH](CCCCNCC(=O)[CH](O)[CH](O)CO[P](O )(O)=O)C(O)=O |
(2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid |
| 31767 |  L5Q |
1 | C7 H7 F3 N2 O2 | InChI=1S/C7H7F3N2O2/c1-4- 2-5(12-14-4)6(13)11-3-7(8 ,9)10/h2H,3H2,1H3,(H,11,1 3); XCSPVFNSKGQNKR-UHFFFAOYSA-N |
Cc1onc(c1)C(=O)NCC(F)(F)F; Cc1cc(no1)C(= O)NCC(F)(F)F |
5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide |
| 31768 |  L5R |
0 | C25 H23 N2 O8 P | InChI=1S/C25H23N2O8P/c28- 19-13-21(35-20(19)15-34-3 6(31,32)33)27-22-18(17-9- 5-2-6-10-17)14-25(22,23(2 9)26-24(27)30)12-11-16-7- 3-1-4-8-16/h1-10,14,19-22 ,28H,13,15H2,(H,26,29,30) (H2,31,32,33)/t19-,20+,21 +,22+,25-/m0/s1; XLEZPOFLRQLYTH-UDCDXJBOSA-N |
c1ccc(cc1)C#CC23C=C(C2N(C(=O)NC3=O)C4CC( C(O4)COP(=O)(O)O)O)c5ccccc5; O[CH]1C[CH] (O[CH]1CO[P](O)(O)=O)N2[CH]3C(=C[C]3(C#C c4ccccc4)C(=O)NC2=O)c5ccccc5; c1ccc(cc1) C#C[C@]23C=C([C@H]2N(C(=O)NC3=O)[C@H]4C[ C@@H]([C@H](O4)COP(=O)(O)O)O)c5ccccc5; O [C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2[C @@H]3C(=C[C@]3(C#Cc4ccccc4)C(=O)NC2=O)c5 ccccc5 |
[(2R,3S,5R)-5-[(1R,6R)-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 31769 |  L5S ZINC000000006991 |
1 | C15 H12 N4 S | InChI=1S/C15H12N4S/c1-10- 17-18-13-9-16-14(11-5-3-2 -4-6-11)12-7-8-20-15(12)1 9(10)13/h2-8H,9H2,1H3; SIRFTOWPWPCSOP-UHFFFAOYSA-N |
Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4; Cc1n nc2CN=C(c3ccccc3)c4ccsc4n12; N2=C(c3ccsc 3n1c(nnc1C)C2)c4ccccc4 |
13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene |
| 31770 |  L5T ZINC000096142384 |
2 | C40 H50 N6 O9 S | InChI=1S/C40H50N6O9S/c1-8 -22-18-40(22,36(50)51)45- 34(48)30-16-25(19-46(30)3 5(49)32(39(4,5)6)43-38(52 )55-23-11-9-10-12-23)54-3 1-17-28(41-27-15-24(53-7) 13-14-26(27)31)29-20-56-3 7(42-29)44-33(47)21(2)3/h 8,13-15,17,20-23,25,30,32 H,1,9-12,16,18-19H2,2-7H3 ,(H,43,52)(H,45,48)(H,50, 51)(H,42,44,47)/t22-,25-, 30+,32-,40-/m1/s1; GEXHIQCMKLNKQH-LONKKFHASA-N |
COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](NC( =O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5C= C)C(O)=O)cc(nc2c1)c6csc(NC(=O)C(C)C)n6; COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H ](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C [C@H]5C=C)C(O)=O)cc(nc2c1)c6csc(NC(=O)C( C)C)n6; CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c c3n2)OC)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O )OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O; CC(C)C (=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H ]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O) OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O; O=C(Nc6nc(c4nc5c(c(OC3CC(C(=O)NC1(C(=O) O)CC1/C=C)N(C(=O)C(NC(=O)OC2CCCC2)C(C)(C )C)C3)c4)ccc(OC)c5)cs6)C(C)C |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide |
| 31771 |  L5V CHEMBL3099705 |
1 | C6 H4 Cl N5 | InChI=1S/C6H4ClN5/c7-5-2- 8-1-4(11-5)6-9-3-10-12-6/ h1-3H,(H,9,10,12); KOARCKONUFDYQJ-UHFFFAOYSA-N |
c1c(nc(cn1)Cl)c2nc[nH]n2; Clc2nc(c1ncnn1 )cnc2; Clc1cncc(n1)c2n[nH]cn2 |
2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine |
| 31772 |  L5W |
2 | C8 H13 N O2 | InChI=1S/C8H13NO2/c10-7(9 -11)8-3-1-6(5-8)2-4-8/h6, 11H,1-5H2,(H,9,10)/t6-,8-; AHBXSKNCOQIRKT-FKQCQYRASA-N |
ONC(=O)C12CCC(CC1)C2; C1CC2(CCC1C2)C(=O) NO |
~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide |
| 31773 |  L5X ZINC000000333213 |
2 | C10 H12 N2 O S | InChI=1S/C10H12N2OS/c1-7- 6-11-10(14-7)12-8-3-2-4-9 (13)5-8/h2-5,7,13H,6H2,1H 3,(H,11,12)/t7-/m0/s1; WAICHRCMCQSSEP-ZETCQYMHSA-N |
C[CH]1CN=C(Nc2cccc(O)c2)S1; CC1CN=C(Nc2c c(O)ccc2)S1; CC1CN=C(S1)Nc2cccc(c2)O; C[ C@H]1CN=C(S1)Nc2cccc(c2)O; C[C@H]1CN=C(N c2cccc(O)c2)S1 |
3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol |
| 31774 |  L5Y CHEMBL3099714 ZINC000098209098 |
1 | C14 H12 F3 N5 O | InChI=1S/C14H12F3N5O/c15- 14(16,17)12-6-8(19-3-4-23 )5-10(20-12)13-9-1-2-18-7 -11(9)21-22-13/h1-2,5-7,2 3H,3-4H2,(H,19,20)(H,21,2 2); CNTAIQDCYAEVFL-UHFFFAOYSA-N |
c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NC CO; OCCNc1cc(nc(c1)C(F)(F)F)c2n[nH]c3cnc cc23; FC(F)(F)c3nc(c2nnc1cnccc12)cc(NCCO )c3 |
2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol |
| 31775 |  L5Z CHEMBL3547161 ZINC000263620339 |
4 | C19 H20 F N5 | InChI=1S/C19H20FN5/c20-16 -3-1-2-14(11-16)10-15-12- 18(15)22-6-4-17-5-7-23-19 (24-17)25-9-8-21-13-25/h1 -3,5,7-9,11,13,15,18,22H, 4,6,10,12H2/t15-,18-/m1/s 1; CYEVFFVOLRMDHH-CRAIPNDOSA-N |
Fc1cccc(C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4cc nc4)c1; Fc1cccc(C[CH]2C[CH]2NCCc3ccnc(n3 )n4ccnc4)c1; Fc1cccc(c1)CC4CC4NCCc2nc(nc c2)n3ccnc3; c1cc(cc(c1)F)CC2CC2NCCc3ccnc (n3)n4ccnc4; c1cc(cc(c1)F)C[C@@H]2C[C@H] 2NCCc3ccnc(n3)n4ccnc4 |
(1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine |
| 31776 |  L60 CHEMBL12593 ZINC000001577583 |
3 | C4 H8 N2 O | InChI=1S/C4H8N2O/c7-4-5-2 -1-3-6-4/h1-3H2,(H2,5,6,7 ); NQPJDJVGBDHCAD-UHFFFAOYSA-N |
O=C1NCCCN1; C1CNC(=O)NC1 | 1,3-diazinan-2-one |
| 31777 |  L61 ZINC000095921011 |
1 | C14 H19 N O3 | InChI=1S/C14H19NO3/c1-11( 2)10-18-14(17)15-13(8-9-1 6)12-6-4-3-5-7-12/h3-7,9, 11,13H,8,10H2,1-2H3,(H,15 ,17)/t13-/m1/s1; DANIFTQCKXMYRY-CYBMUJFWSA-N |
CC(C)COC(=O)N[C@H](CC=O)c1ccccc1; CC(C)C OC(=O)NC(CC=O)c1ccccc1; O=C(OCC(C)C)NC(c 1ccccc1)CC=O; CC(C)COC(=O)N[CH](CC=O)c1c cccc1 |
2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate |
| 31778 |  L62 ZINC000095920822 |
1 | C15 H19 N O3 | InChI=1S/C15H19NO3/c17-11 -10-14(12-6-2-1-3-7-12)16 -15(18)19-13-8-4-5-9-13/h 1-3,6-7,11,13-14H,4-5,8-1 0H2,(H,16,18)/t14-/m1/s1; JHRUSYOIALPZLD-CQSZACIVSA-N |
O=CC[C@@H](NC(=O)OC1CCCC1)c2ccccc2; c1cc c(cc1)C(CC=O)NC(=O)OC2CCCC2; c1ccc(cc1)[ C@@H](CC=O)NC(=O)OC2CCCC2; O=CC[CH](NC(= O)OC1CCCC1)c2ccccc2; O=C(OC1CCCC1)NC(c2c cccc2)CC=O |
cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate |
| 31779 |  L63 ZINC000071788677 |
4 | C17 H18 N2 O4 | InChI=1S/C17H18N2O4/c1-11 (20)15(17(22)19-23)18-16( 21)14-9-7-13(8-10-14)12-5 -3-2-4-6-12/h2-11,15,20,2 3H,1H3,(H,18,21)(H,19,22) /t11-,15+/m1/s1; AXQUTBMFDJGETC-ABAIWWIYSA-N |
C[CH](O)[CH](NC(=O)c1ccc(cc1)c2ccccc2)C( =O)NO; CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2cc ccc2)O; C[C@@H](O)[C@H](NC(=O)c1ccc(cc1) c2ccccc2)C(=O)NO; C[C@H]([C@@H](C(=O)NO) NC(=O)c1ccc(cc1)c2ccccc2)O; O=C(NC(C(=O) NO)C(O)C)c2ccc(c1ccccc1)cc2 |
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide |
| 31780 |  L64 CHEMBL540695 ZINC000039300550 |
1 | C32 H32 N10 O3 | InChI=1S/C32H32N10O3/c43- 31(23-2-1-11-34-20-23)41- 14-9-26(10-15-41)42-30-27 (21-35-42)29(40-16-18-45- 19-17-40)38-28(39-30)22-3 -5-24(6-4-22)36-32(44)37- 25-7-12-33-13-8-25/h1-8,1 1-13,20-21,26H,9-10,14-19 H2,(H2,33,36,37,44); HLHOHTNONYACFD-UHFFFAOYSA-N |
O=C(Nc1ccncc1)Nc2ccc(cc2)c3nc(N4CCOCC4)c 5cnn(C6CCN(CC6)C(=O)c7cccnc7)c5n3; c1cc( cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5 ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7; O=C(c1 cccnc1)N7CCC(n3ncc2c(nc(nc23)c5ccc(NC(=O )Nc4ccncc4)cc5)N6CCOCC6)CC7 |
1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea |
| 31781 |  L66 CHEMBL566515 ZINC000045245466 |
2 | C22 H19 N5 O4 | InChI=1S/C22H19N5O4/c1-12 -8-9-13(28)10-14(12)16-11 -26-18-19(25(2)22(30)24-2 0(18)29)23-21(26)27(16)15 -6-4-5-7-17(15)31-3/h4-11 ,28H,1-3H3,(H,24,29,30); JTWMOWRMSZZHDR-UHFFFAOYSA-N |
Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(= O)NC4=O)C)O; COc1ccccc1n2c(cn3c2nc4N(C)C (=O)NC(=O)c34)c5cc(O)ccc5C; O=C2c1n4c(nc 1N(C(=O)N2)C)n(c(c3cc(O)ccc3C)c4)c5ccccc 5OC |
7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
| 31782 |  L67 |
8 | C16 H18 O5 | InChI=1S/C16H18O5/c17-14( 18)8-10-4-6-11(7-5-10)16( 21)13-3-1-2-12(13)9-15(19 )20/h4-7,12-13H,1-3,8-9H2 ,(H,17,18)(H,19,20); MDWWEFDMQKFGKX-UHFFFAOYSA-N |
OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(CC(O)= O)cc2; c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(= O)O; OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(CC(O )=O)cc2; C2C(C(c1ccc(cc1)CC(=O)O)=O)C(CC 2)CC(=O)O |
{(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid |
| 31783 |  L68 |
1 | C23 H16 F2 N4 O3 | InChI=1S/C23H16F2N4O3/c1- 29-12-17(11-28-29)13-2-4- 18(23(31)32)14(6-13)3-5-2 1(30)22-19(24)7-15(8-20(2 2)25)16-9-26-27-10-16/h2- 12H,1H3,(H,26,27)(H,31,32 )/b5-3+; UMAKCENGRSEXNB-HWKANZROSA-N |
Cn1cc(cn1)c2ccc(C(O)=O)c(/C=C/C(=O)c3c(F )cc(cc3F)c4c[nH]nc4)c2; Cn1cc(cn1)c2ccc( C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc 4)c2; Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(c c(cc3F)c4c[nH]nc4)F)C(=O)O |
2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid |
| 31784 |  L69 CHEMBL34819 ZINC000001533832 |
2 | C8 H12 O8 P2 | InChI=1S/C8H12O8P2/c1-8(1 7(10,11)12,18(13,14)15)16 -7-4-2-6(9)3-5-7/h2-5,9H, 1H3,(H2,10,11,12)(H2,13,1 4,15); JKOCAAWWDVHWKB-UHFFFAOYSA-N |
CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O; CC (Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O |
[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid; L-690330 |
| 31785 |  L6A CHEMBL5218823 |
1 | C16 H14 N4 O2 | InChI=1S/C16H14N4O2/c17-1 5-13-5-12(16(18)22)11(6-1 4(13)19-8-20-15)10-3-1-2- 9(4-10)7-21/h1-6,8,21H,7H 2,(H2,18,22)(H2,17,19,20); UNWGLQGHMTWDJL-UHFFFAOYSA-N |
c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO; NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3 |
4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide |
| 31786 |  L6B |
1 | C15 H18 N2 O4 | InChI=1S/C15H18N2O4/c1-21 -13(18)7-4-8-16-14(19)11- 9-10-5-2-3-6-12(10)17-15( 11)20/h4,8-9H,2-3,5-7H2,1 H3,(H,16,19)(H,17,20)/b8- 4+; JTDAYDBLAIIQAZ-XBXARRHUSA-N |
COC(=O)C/C=C/NC(=O)C1=CC2=C(CCCC2)NC1=O; COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O |
methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate |
| 31787 |  L6C ZINC000095920823 |
2 | C16 H15 N O3 | InChI=1S/C16H15NO3/c18-12 -11-15(13-7-3-1-4-8-13)17 -16(19)20-14-9-5-2-6-10-1 4/h1-10,12,15H,11H2,(H,17 ,19)/t15-/m1/s1; HHWCOMIRIZKFCW-OAHLLOKOSA-N |
c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2; O =CC[C@@H](NC(=O)Oc1ccccc1)c2ccccc2; O=CC [CH](NC(=O)Oc1ccccc1)c2ccccc2; c1ccc(cc1 )C(CC=O)NC(=O)Oc2ccccc2; O=C(Oc1ccccc1)N C(c2ccccc2)CC=O |
phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate |
| 31788 |  L6D |
3 | C15 H12 Cl N3 O | InChI=1S/C15H12ClN3O/c16- 12-5-3-4-11(8-12)9-15(20) 18-19-10-17-13-6-1-2-7-14 (13)19/h1-8,10H,9H2,(H,18 ,20); YHLCUCKEOZVUDL-UHFFFAOYSA-N |
c1ccc2c(c1)ncn2NC(=O)Cc3cccc(c3)Cl; Clc1 cccc(CC(=O)Nn2cnc3ccccc23)c1; Clc1cccc(c 1)CC(=O)Nn1cnc2ccccc21 |
N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide |
| 31789 |  L6E |
1 | C17 H21 N3 O5 | InChI=1S/C17H21N3O5/c1-18 -14(21)10-25-15(22)7-4-8- 19-16(23)12-9-11-5-2-3-6- 13(11)20-17(12)24/h4,7,9H ,2-3,5-6,8,10H2,1H3,(H,18 ,21)(H,19,23)(H,20,24)/b7 -4+; TVQYRIKRPWLBEA-QPJJXVBHSA-N |
CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2 )NC1=O; CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C (CCCC2)NC1=O; CNC(=O)COC(=O)\C=C\CNC(=O) C1=CC2=C(CCCC2)NC1=O |
[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
| 31790 |  L6F |
1 | C15 H16 N2 | InChI=1S/C15H16N2/c16-14- 8-4-7-13-12(14)9-10-17-15 (13)11-5-2-1-3-6-11/h1-8, 15,17H,9-10,16H2/t15-/m1/ s1; SJAZZYOCOXNSIX-OAHLLOKOSA-N |
Nc1cccc2[C@H](NCCc12)c3ccccc3; c1ccc(cc1 )C2c3cccc(c3CCN2)N; Nc1cccc2[CH](NCCc12) c3ccccc3; c1ccc(cc1)[C@@H]2c3cccc(c3CCN2 )N; Nc1cccc2c1CCNC2c1ccccc1 |
(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine |
| 31791 |  L6G CHEMBL3593407 ZINC000139916031 |
4 | C21 H29 N5 O3 S3 | InChI=1S/C21H29N5O3S3/c1- 12(2)17-18(28)23-13(6-4-5 -7-30)8-15(27)22-9-16-24- 14(10-31-16)19-26-21(3,11 -32-19)20(29)25-17/h4,6,1 0,12-13,17,30H,5,7-9,11H2 ,1-3H3,(H,22,27)(H,23,28) (H,25,29)/b6-4+/t13-,17+, 21+/m1/s1; CPERKRDUKGURNJ-BNVDZZMOSA-N |
CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2 )C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS; CC(C )[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c3csc(CNC( =O)C[C@H](NC1=O)\C=C\CCS)n3; CC(C)C1C(=O )NC(CC(=O)NCc2nc(cs2)C3=NC(CS3)(C(=O)N1) C)C=CCCS; CC(C)[CH]1NC(=O)[C]2(C)CSC(=N2 )c3csc(CNC(=O)C[CH](NC1=O)C=CCCS)n3; O=C 2NCc1scc(n1)C3=NC(C(=O)NC(C(=O)NC(/C=C/C CS)C2)C(C)C)(C)CS3 |
(5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione |
| 31792 |  L6H |
1 | C28 H38 N4 O7 | InChI=1S/C28H38N4O7/c33-2 4(29-16-9-17-31-28(37)39- 21-11-4-2-1-3-5-12-21)19- 38-25(34)14-8-15-30-26(35 )22-18-20-10-6-7-13-23(20 )32-27(22)36/h1-2,8,14,18 ,21H,3-7,9-13,15-17,19H2, (H,29,33)(H,30,35)(H,31,3 7)(H,32,36)/b2-1?,14-8+/t 21-/m1/s1; XBCNCWLUITUPGM-PESUWNSQSA-N |
C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCC=CC(=O)O CC(=O)NCCCNC(=O)OC3CCCC=CCC3; C1CCC2=C(C 1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NC CCNC(=O)OC3CCCC=CCC3; O=C(COC(=O)C=CCNC( =O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3 CCCC=CCC3; O=C(COC(=O)\C=C\CNC(=O)C1=CC2 =C(CCCC2)NC1=O)NCCCNC(=O)O[C@H]3CCC/C=C/ CC3 |
[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
| 31793 |  L6I CHEMBL3819587 ZINC000584905599 |
1 | C28 H30 N4 O6 S | InChI=1S/C28H30N4O6S/c1-1 7-9-10-19(22(14-27(33)34) 20-12-23-28(25(13-20)37-4 )31(3)30-29-23)11-21(17)1 6-32-15-18(2)38-24-7-5-6- 8-26(24)39(32,35)36/h5-13 ,18,22H,14-16H2,1-4H3,(H, 33,34)/t18-,22+/m1/s1; ZDNGJXBUEQNFBQ-GCJKJVERSA-N |
COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c3ccc (C)c(CN4C[C@@H](C)Oc5ccccc5[S]4(=O)=O)c3 ; Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O) C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C; COc1cc(cc2nnn(C)c12)[CH](CC(O)=O)c3ccc(C )c(CN4C[CH](C)Oc5ccccc5[S]4(=O)=O)c3; Cc 1ccc(cc1CN2CC(Oc3ccccc3S2(=O)=O)C)C(CC(= O)O)c4cc5c(c(c4)OC)n(nn5)C |
(3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid |
| 31794 |  L6J |
4 | C16 H18 O6 | InChI=1S/C16H18O6/c1-22-1 2-8-3-2-5-11(12)14(17)10- 7-4-6-9(10)13(15(18)19)16 (20)21/h2-3,5,8-10,13H,4, 6-7H2,1H3,(H,18,19)(H,20, 21)/t9?,10-/m1/s1; KFADNUOGNGGPQM-QVDQXJPCSA-N |
COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O; C Oc1ccccc1C(=O)[C@@H]2CCC[C@H]2C(C(O)=O)C (O)=O; COc1ccccc1C(=O)[CH]2CCC[CH]2C(C(O )=O)C(O)=O; C2(C(c1c(cccc1)OC)=O)CCCC2C( C(=O)O)C(=O)O |
[(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid |
| 31795 |  L6K |
1 | C16 H20 N2 O4 | InChI=1S/C16H20N2O4/c1-18 -15(16(19)20)7-11-2-4-13( 5-3-11)21-9-12-6-14(8-17) 22-10-12/h2-6,10,15,18H,7 -9,17H2,1H3,(H,19,20)/t15 -/m0/s1; QGZKJFPEUIZHQR-HNNXBMFYSA-N |
CNC(Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O; CN[ C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O; C N[C@@H](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O; CN[CH](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O |
(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid |
| 31796 |  L6L ZINC000618007762 |
1 | C19 H27 F3 N2 O2 S2 | InChI=1S/C19H27F3N2O2S2/c 1-23(2)11-13-28-27-12-6-1 7(25)24-9-7-18(26,8-10-24 )15-4-3-5-16(14-15)19(20, 21)22/h3-5,14,26H,6-13H2, 1-2H3; ODOXOFKRBGHUGR-UHFFFAOYSA-N |
CN(C)CCSSCCC(=O)N1CCC(CC1)(c2cccc(c2)C(F )(F)F)O; CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2 cccc(c2)C(F)(F)F |
3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one |
| 31797 |  L6M |
4 | C30 H37 N5 O10 | InChI=1S/C30H37N5O10/c31- 23-10-11-35(30(44)34-23)2 6-14-21(36)22(45-26)15-32 -24(37)9-8-20(29(42)43)33 -25(38)13-18-2-1-3-19(18) 28(41)17-6-4-16(5-7-17)12 -27(39)40/h4-7,10-11,18-2 2,26,36H,1-3,8-9,12-15H2, (H,32,37)(H,33,38)(H,39,4 0)(H,42,43)(H2,31,34,44)/ t18-,19+,20-,21-,22+,26+/ m0/s1; JVRVDICAIPFWFZ-BONAQRLYSA-N |
c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)NC(CC C(=O)NCC3C(CC(O3)N4C=CC(=NC4=O)N)O)C(=O) O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H ](CNC(=O)CC[C@H](NC(=O)C[C@@H]3CCC[C@H]3 C(=O)c4ccc(CC(O)=O)cc4)C(O)=O)O2; C(CC(C (=O)O)NC(CC2C(C(c1ccc(CC(=O)O)cc1)=O)CCC 2)=O)C(NCC4C(CC(N3C=CC(=NC3=O)N)O4)O)=O; c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)N[C@ @H](CCC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C =CC(=NC4=O)N)O)C(=O)O; NC1=NC(=O)N(C=C1) [CH]2C[CH](O)[CH](CNC(=O)CC[CH](NC(=O)C[ CH]3CCC[CH]3C(=O)c4ccc(CC(O)=O)cc4)C(O)= O)O2 |
5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine |
| 31798 |  L6N |
3 | C7 H14 O6 | InChI=1S/C7H14O6/c1-12-2- 3-4(8)5(9)6(10)7(11)13-3/ h3-11H,2H2,1H3/t3-,4-,5+, 6-,7-/m1/s1; QWJKEQVWXSYDJA-XUUWZHRGSA-N |
COCC1C(C(C(C(O1)O)O)O)O; COC[C@H]1O[C@@H ](O)[C@H](O)[C@@H](O)[C@@H]1O; COC[C@@H] 1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O; C OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol |
| 31799 |  L6O ZINC000006114288 |
1 | C10 H11 F N2 S | InChI=1S/C10H11FN2S/c1-7- 6-12-10(14-7)13-9-4-2-8(1 1)3-5-9/h2-5,7H,6H2,1H3,( H,12,13)/t7-/m1/s1; QAZPKSKUOOWBMI-SSDOTTSWSA-N |
CC1CN=C(S1)Nc2ccc(cc2)F; C[CH]1CN=C(Nc2c cc(F)cc2)S1; C[C@@H]1CN=C(Nc2ccc(F)cc2)S 1; CC1CN=C(Nc2ccc(F)cc2)S1; C[C@@H]1CN=C (S1)Nc2ccc(cc2)F |
(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine |
| 31800 |  L6P |
1 | C19 H22 N2 O3 | InChI=1S/C19H22N2O3/c20-1 2-15-5-4-13(10-16(15)14-6 -7-14)11-17(22)21-19(18(2 3)24)8-2-1-3-9-19/h4-5,10 ,14H,1-3,6-9,11H2,(H,21,2 2)(H,23,24); XZXSSWDGVSHUNZ-UHFFFAOYSA-N |
OC(=O)C1(CCCCC1)NC(=O)Cc2ccc(C#N)c(c2)C3 CC3; c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C 3CC3)C#N; c1(c(C#N)ccc(c1)CC(NC2(CCCCC2) C(O)=O)=O)C3CC3 |
1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid |