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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 20201 | F1G DB07733 ZINC000038189539 |
1 | C10 H10 F3 N3 O S2 | InChI=1S/C10H10F3N3OS2/c1 -16-9-5(7(15-16)10(11,12) 13)4-6(19-9)8(17)14-2-3-1 8/h4,18H,2-3H2,1H3,(H,14, 17); HDKGQVZBBSICLG-UHFFFAOYSA-N |
FC(F)(F)c1nn(c2sc(cc12)C(=O)NCCS)C; Cn1n c(c2cc(sc12)C(=O)NCCS)C(F)(F)F; Cn1c2c(c c(s2)C(=O)NCCS)c(n1)C(F)(F)F |
1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE |
| 20202 | F1H DB07734 ZINC000039029985 |
1 | C16 H24 N2 O S | InChI=1S/C16H24N2OS/c19-1 6(7-4-12-20)17-15-8-10-18 (11-9-15)13-14-5-2-1-3-6- 14/h1-3,5-6,15,20H,4,7-13 H2,(H,17,19); XNIXPLIQGKQSIE-UHFFFAOYSA-N |
SCCCC(=O)NC1CCN(CC1)Cc2ccccc2; O=C(NC2CC N(Cc1ccccc1)CC2)CCCS; c1ccc(cc1)CN2CCC(C C2)NC(=O)CCCS |
N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide; N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide |
| 20203 | F1I DB07735 ZINC000039470956 |
1 | C18 H28 N2 O3 S | InChI=1S/C18H28N2O3S/c1-2 2-16-5-3-6-17(23-2)15(16) 13-20-10-8-14(9-11-20)19- 18(21)7-4-12-24/h3,5-6,14 ,24H,4,7-13H2,1-2H3,(H,19 ,21); MUDVORCZGBAHNA-UHFFFAOYSA-N |
COc1cccc(OC)c1CN2CCC(CC2)NC(=O)CCCS; COc 1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC; O=C(NC 2CCN(Cc1c(OC)cccc1OC)CC2)CCCS |
N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide; N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide |
| 20204 | F1J DB07736 ZINC000039029987 |
1 | C14 H20 F N3 O S | InChI=1S/C14H20FN3OS/c15- 12-3-1-11(2-4-12)9-18-7-5 -16-13(10-18)14(19)17-6-8 -20/h1-4,13,16,20H,5-10H2 ,(H,17,19)/t13-/m0/s1; CEXXKSSFAKABEN-ZDUSSCGKSA-N |
c1cc(ccc1CN2CCNC(C2)C(=O)NCCS)F; Fc1ccc( cc1)CN2CC(NCC2)C(=O)NCCS; c1cc(ccc1C[N@@ ]2CCN[C@@H](C2)C(=O)NCCS)F; Fc1ccc(CN2CC N[CH](C2)C(=O)NCCS)cc1; Fc1ccc(CN2CCN[C@ @H](C2)C(=O)NCCS)cc1 |
(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide; 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(2-mercapto-ethyl)-amide |
| 20205 | F1K DB07737 ZINC000039029988 |
3 | C15 H22 F N3 O S | InChI=1S/C15H22FN3OS/c16- 13-4-2-12(3-5-13)10-19-8- 7-17-14(11-19)15(20)18-6- 1-9-21/h2-5,14,17,21H,1,6 -11H2,(H,18,20)/t14-/m0/s 1; OYTFYWWLBPDTNS-AWEZNQCLSA-N |
Fc1ccc(CN2CCN[CH](C2)C(=O)NCCCS)cc1; c1c c(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCCS)F; c1cc(ccc1CN2CCNC(C2)C(=O)NCCCS)F; Fc1ccc (cc1)CN2CC(NCC2)C(=O)NCCCS; Fc1ccc(CN2CC N[C@@H](C2)C(=O)NCCCS)cc1 |
(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide; 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide |
| 20206 | F1L DB07738 ZINC000039029989 |
1 | C18 H27 Br N2 O3 S | InChI=1S/C18H27BrN2O3S/c1 -23-16-11-14(19)10-13(18( 16)24-2)12-21-7-5-15(6-8- 21)20-17(22)4-3-9-25/h10- 11,15,25H,3-9,12H2,1-2H3, (H,20,22); HESMISSJMKCCAV-UHFFFAOYSA-N |
COc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br; COc1cc(Br)cc(CN2CCC(CC2)NC(=O)CCCS)c1OC ; Brc1cc(c(OC)c(OC)c1)CN2CCC(NC(=O)CCCS) CC2 |
N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide; N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide |
| 20207 | F1M ZINC000039029990 |
1 | C24 H32 Cl N3 O6 S | InChI=1S/C24H32ClN3O6S/c1 -16(2)34-24-17(12-18(25)1 3-22(24)32-3)14-28-10-8-1 9(9-11-28)27-23(29)15-33- 20-4-6-21(7-5-20)35(26,30 )31/h4-7,12-13,16,19H,8-1 1,14-15H2,1-3H3,(H,27,29) (H2,26,30,31); QVZLZLJHCAPQQC-UHFFFAOYSA-N |
COc1cc(Cl)cc(CN2CCC(CC2)NC(=O)COc3ccc(cc 3)[S](N)(=O)=O)c1OC(C)C; O=S(=O)(N)c3ccc (OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1 )CC2)cc3; CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(C C2)NC(=O)COc3ccc(cc3)S(=O)(=O)N |
N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide; N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide |
| 20208 | F1N ZINC000039030064 |
1 | C25 H34 Cl N3 O6 S | InChI=1S/C25H34ClN3O6S/c1 -16(2)35-25-18(12-19(26)1 3-23(25)33-4)14-29-9-7-20 (8-10-29)28-24(30)15-34-2 2-6-5-21(11-17(22)3)36(27 ,31)32/h5-6,11-13,16,20H, 7-10,14-15H2,1-4H3,(H,28, 30)(H2,27,31,32); IWMCULWPLNDDNK-UHFFFAOYSA-N |
Cc1cc(ccc1OCC(=O)NC2CCN(CC2)Cc3cc(cc(c3O C(C)C)OC)Cl)S(=O)(=O)N; COc1cc(Cl)cc(CN2 CCC(CC2)NC(=O)COc3ccc(cc3C)[S](N)(=O)=O) c1OC(C)C; O=S(=O)(N)c3ccc(OCC(=O)NC2CCN( Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)c(c3)C |
N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide; N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide |
| 20209 | F1P | 3 | C6 H13 O9 P | InChI=1S/C6H13O9P/c7-3-1- 14-6(10,5(9)4(3)8)2-15-16 (11,12)13/h3-5,7-10H,1-2H 2,(H2,11,12,13)/t3-,4-,5+ ,6-/m1/s1; HXRNACQBNUPKDX-ARQDHWQXSA-N |
C1C(C(C(C(O1)(COP(=O)(O)O)O)O)O)O; O[CH] 1CO[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O; O =P(O)(O)OCC1(O)OCC(O)C(O)C1O; C1[C@H]([C @H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O; O[C@@H]1CO[C@](O)(CO[P](O)(O)=O)[C@@H]( O)[C@@H]1O |
1-O-phosphono-beta-D-fructopyranose; BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE; ((2R,3S,4R,5R)-TETRAHYDRO-2,3,4,5-TETRAHYDROXY-2H-PYRAN-2-YL)METHYL DIHYDROGEN PHOSPHATE; 1-O-phosphono-beta-D-fructose; 1-O-phosphono-D-fructose; 1-O-phosphono-fructose |
| 20210 | F1Q | 1 | C14 H19 N7 O3 | InChI=1S/C14H19N7O3/c1-2- 24-13(22)7-16-14(23)21(9- 12-17-19-20-18-12)8-10-3- 5-11(15)6-4-10/h3-6H,2,7- 9,15H2,1H3,(H,16,23)(H,17 ,18,19,20); MIBVKXZGDPDKCH-UHFFFAOYSA-N |
CCOC(=O)CNC(=O)N(Cc1[nH]nnn1)Cc2ccc(N)cc 2; CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH] nnn2 |
ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate |
| 20211 | F1R CHEMBL3102959 ZINC000103225168 |
0 | C21 H23 Cl N8 O | InChI=1S/C21H23ClN8O/c1-3 1-13-5-7-16-15(11-13)18(1 4-6-4-12(22)10-17(14)27-1 6)25-8-2-3-9-26-21-29-19( 23)28-20(24)30-21/h4-7,10 -11H,2-3,8-9H2,1H3,(H,25, 27)(H5,23,24,26,28,29,30); YRQBNFDRSZQBNL-UHFFFAOYSA-N |
COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc4nc(N)nc(N )n4)c2c1; COc1ccc2c(c1)c(c3ccc(cc3n2)Cl) NCCCCNc4nc(nc(n4)N)N |
N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine |
| 20212 | F1S CHEMBL2206907 ZINC000095559062 |
1 | C20 H23 Cl N8 O3 S | InChI=1S/C20H23ClN8O3S/c1 -11-25-19(28-20(22)26-11) 15-7-13(12-3-5-32-6-4-12) 9-24-18(15)27-14-8-16(17( 21)23-10-14)29-33(2,30)31 /h7-10,12,29H,3-6H2,1-2H3 ,(H,24,27)(H2,22,25,26,28 ); FLBPZSHGOYHCPK-UHFFFAOYSA-N |
Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)Cl)NS (=O)(=O)C)C4CCOCC4; Cc1nc(N)nc(n1)c2cc(c nc2Nc3cnc(Cl)c(N[S](C)(=O)=O)c3)C4CCOCC4 ; O=S(=O)(Nc1cc(cnc1Cl)Nc3ncc(cc3c2nc(nc (n2)N)C)C4CCOCC4)C |
N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide |
| 20213 | F1T | 2 | C14 H11 F3 N4 O | InChI=1S/C14H11F3N4O/c1-7 -11-12(18-8(2)19-13(11)22 -21-7)20-10-5-3-9(4-6-10) 14(15,16)17/h3-6H,1-2H3,( H,18,19,20); DICIXXZXANPVKT-UHFFFAOYSA-N |
Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F; Cc1nc(Nc2ccc(cc2)C(F)(F)F)c3c(C)noc3n1 |
3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine |
| 20214 | F1U CHEMBL4059722 ZINC000000002200 |
1 | C16 H25 N O2 | InChI=1S/C16H25NO2/c1-17( 2)12-14-7-4-5-10-16(14,18 )13-8-6-9-15(11-13)19-3/h 6,8-9,11,14,18H,4-5,7,10, 12H2,1-3H3/t14-,16+/m0/s1; TVYLLZQTGLZFBW-GOEBONIOSA-N |
COc1cccc(c1)[C]2(O)CCCC[CH]2CN(C)C; CN(C )C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O; CN(C) CC1CCCCC1(c2cccc(c2)OC)O; COc1cccc(c1)[C @]2(O)CCCC[C@H]2CN(C)C |
(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol; (s,s)-tramadol |
| 20215 | F1V CHEMBL4090925 ZINC000004487699 |
2 | C16 H22 N2 O2 | InChI=1S/C16H22N2O2/c1-16 (2,3)15(19)17-8-7-11-10-1 8-14-6-5-12(20-4)9-13(11) 14/h5-6,9-10,18H,7-8H2,1- 4H3,(H,17,19); CUMVZJLZCUYFCZ-UHFFFAOYSA-N |
c1(OC)ccc2c(c1)c(CCNC(=O)C(C)(C)C)cn2; C C(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC; COc 1ccc2[nH]cc(CCNC(=O)C(C)(C)C)c2c1 |
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide |
| 20216 | F1W CHEMBL595354 ZINC000043196009 |
1 | C25 H34 N4 O2 S | InChI=1S/C25H34N4O2S/c1-2 5(2,3)19-11-9-18(10-12-19 )23(31)28-24(32)27-21-15- 13-20(14-16-21)26-22(30)8 -6-7-17-29(4)5/h9-16H,6-8 ,17H2,1-5H3,(H,26,30)(H2, 27,28,31,32); BVJSXSQRIUSRCO-UHFFFAOYSA-N |
CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2) NC(=O)CCCCN(C)C; CN(C)CCCCC(=O)Nc1ccc(NC (=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 |
4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide |
| 20217 | F1X CHEMBL605021 ZINC000004095539 |
3 | C6 H13 O9 P | InChI=1S/C6H13O9P/c7-1-3- 4(8)5(9)6(10,15-3)2-14-16 (11,12)13/h3-5,7-10H,1-2H 2,(H2,11,12,13)/t3-,4-,5+ ,6-/m1/s1; RHKKZBWRNHGJEZ-ARQDHWQXSA-N |
OC[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)[CH] 1O; O=P(OCC1(O)OC(C(O)C1O)CO)(O)O; C(C1C (C(C(O1)(COP(=O)(O)O)O)O)O)O; C([C@@H]1[ C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O ; OC[C@H]1O[C@](O)(CO[P](O)(O)=O)[C@@H]( O)[C@@H]1O |
1-O-phosphono-beta-D-fructofuranose; beta D-Fructose 1-phosphate; 1-O-phosphono-beta-D-fructose; 1-O-phosphono-D-fructose; 1-O-phosphono-fructose |
| 20218 | F1Y | 1 | C17 H18 N4 O2 | InChI=1S/C17H18N4O2/c1-2- 5-14-16(21-11-4-3-6-15(21 )19-14)18-13-9-7-12(8-10- 13)17(22)20-23/h3-4,6-11, 18,23H,2,5H2,1H3,(H,20,22 ); RDGVRQVQYOOAEK-UHFFFAOYSA-N |
CCCc1nc2ccccn2c1Nc3ccc(cc3)C(=O)NO; c3(c cc(Nc2c(CCC)nc1ccccn12)cc3)C(=O)NO; CCCc 1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO |
N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide |
| 20219 | F1Z | 1 | C15 H19 N3 O3 | InChI=1S/C15H19N3O3/c1-3- 9-18(11-12-5-7-13(16)8-6- 12)15(20)17-10-14(19)21-4 -2/h1,5-8H,4,9-11,16H2,2H 3,(H,17,20); XRVDTFOBXOWARD-UHFFFAOYSA-N |
CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N; CCOC (=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1 |
ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate |
| 20220 | F20 ZINC000014953973 |
1 | C28 H28 N4 O6 S | InChI=1S/C28H28N4O6S/c29- 26(34)22(15-19-11-13-20(1 4-12-19)24-17-25(33)32-39 (24,37)38)30-28(36)23(16- 18-7-3-1-4-8-18)31-27(35) 21-9-5-2-6-10-21/h1-14,22 -24H,15-17H2,(H2,29,34)(H ,30,36)(H,31,35)(H,32,33) /t22-,23-,24-/m0/s1; ZSFPNCCMRAHJSA-HJOGWXRNSA-N |
c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc 2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4 ccccc4; O=C4NS(=O)(=O)C(c1ccc(cc1)CC(C(= O)N)NC(=O)C(NC(=O)c2ccccc2)Cc3ccccc3)C4; c1ccc(cc1)CC(C(=O)NC(Cc2ccc(cc2)C3CC(=O )NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4; NC(=O) [C@H](Cc1ccc(cc1)[C@@H]2CC(=O)N[S]2(=O)= O)NC(=O)[C@H](Cc3ccccc3)NC(=O)c4ccccc4; NC(=O)[CH](Cc1ccc(cc1)[CH]2CC(=O)N[S]2(= O)=O)NC(=O)[CH](Cc3ccccc3)NC(=O)c4ccccc4 |
N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE; ISOTHIAZOLIDINONE ANALOG |
| 20221 | F21 CHEMBL177749 DB07739 ZINC000013581950 |
4 | C14 H19 F N2 O2 S2 | InChI=1S/C14H19FN2O2S2/c1 5-9-13-7-11-1-2-14(8-12(1 1)10-16-13)21(18,19)17-3- 5-20-6-4-17/h1-2,8,13,16H ,3-7,9-10H2/t13-/m1/s1; SBUKSNPHYWXCDG-CYBMUJFWSA-N |
c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)C F; O=S(=O)(N1CCSCC1)c2ccc3c(c2)CNC(CF)C3 ; FC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)N3CCSC C3; c1cc2c(cc1S(=O)(=O)N3CCSCC3)CNC(C2)C F; FC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)N3CC SCC3 |
(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE; 3-FLUOROMETHYL 7-THIOMORPHOLINOSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE |
| 20222 | F22 | 0 | C22 H32 O2 | InChI=1/C22H32O2/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15-16-17-18-19-20-21-22( 23)24/h3-4,6-7,9-10,12-13 ,15-16,18-19H,2,5,8,11,14 ,17,20-21H2,1H3,(H,23,24) /b4-3-,7-6-,10-9-,13-12-, 16-15-,19-18-/f/h23H; MBMBGCFOFBJSGT-YALXRAKKDU |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC (=O)O; CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O ; CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C CC(O)=O; CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O )O; O=C(O)CC\C=C/C/C=C\C\C=C/C\C=C/C\C=C /C\C=C/CC |
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid |
| 20223 | F23 CHEMBL1173462 DB03500 ZINC000006920379 |
3 | C23 H46 O2 | InChI=1S/C23H46O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18-19-20-21-22 -23(24)25/h2-22H2,1H3,(H, 24,25); XEZVDURJDFGERA-UHFFFAOYSA-N |
O=C(O)CCCCCCCCCCCCCCCCCCCCCC; CCCCCCCCCC CCCCCCCCCCCCC(=O)O; CCCCCCCCCCCCCCCCCCCC CCC(O)=O |
TRICOSANOIC ACID |
| 20224 | F24 DB07740 |
5 | C18 H30 O5 | InChI=1S/C18H30O5/c1-13(8 -14(2)9-15(3)10-18(22)23) 6-4-5-7-17(21)16(11-19)12 -20/h9-11,13,16-17,20-21H ,4-8,12H2,1-3H3,(H,22,23) /b14-9+,15-10?/t13-,16-,1 7-/m1/s1; CJCDMTWCUXKYGF-QPILVHKNSA-N |
C[CH](CCCC[CH](O)[CH](CO)C=O)CC(C)=CC(C) =CC(O)=O; O=C(O)\C=C(\C=C(/C)CC(CCCCC(O) C(C=O)CO)C)C; C[C@H](CCCC[C@H]([C@@H](CO )C=O)O)CC(=CC(=CC(=O)O)C)C; CC(CCCCC(C(C O)C=O)O)CC(=CC(=CC(=O)O)C)C; C[C@H](CCCC [C@@H](O)[C@@H](CO)C=O)CC(/C)=C/C(C)=C/C (O)=O |
(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid; Antibiotic 1233A, Bound Form |
| 20225 | F25 DB07741 ZINC000038444302 |
1 | C24 H27 F3 N4 O | InChI=1S/C24H27F3N4O/c25- 16-9-3-13(4-10-16)12-31-2 1(22(26)27)18-17-2-1-11-3 0(17)20(19(18)24(31)32)14 -5-7-15(8-6-14)23(28)29/h 3-10,17-23H,1-2,11-12,28- 29H2/t17-,18-,19-,20-,21- /m0/s1; VPNYXOTTXAXSIH-SXYSDOLCSA-N |
c1cc(ccc1CN2C(C3C4CCCN4C(C3C2=O)c5ccc(cc 5)C(N)N)C(F)F)F; c1cc(ccc1CN2[C@@H]([C@H ]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc (cc5)C(N)N)C(F)F)F; Fc1ccc(cc1)CN2C(=O)C 5C(C2C(F)F)C3N(CCC3)C5c4ccc(cc4)C(N)N; N C(N)c1ccc(cc1)[CH]2[CH]3[CH]([CH]4CCCN24 )[CH](C(F)F)N(Cc5ccc(F)cc5)C3=O; NC(N)c1 ccc(cc1)[C@H]2[C@@H]3[C@H]([C@@H]4CCCN24 )[C@@H](C(F)F)N(Cc5ccc(F)cc5)C3=O |
4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE |
| 20226 | F26 ZINC000030730035 |
11 | C40 H52 | InChI=1S/C40H52/c1-31(2)1 7-13-20-34(5)23-15-25-35( 6)24-14-21-32(3)18-11-12- 19-33(4)22-16-26-36(7)27- 30-40-38(9)29-28-37(8)39( 40)10/h11-12,14-19,21-30H ,13,20H2,1-10H3/b12-11+,2 1-14+,22-16+,25-15+,30-27 +,32-18+,33-19+,34-23+,35 -24+,36-26+; VJASLAGEYVTOGS-IQAIWTHGSA-N |
Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C( \C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C )/C)C; CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=C C=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C; Cc 1ccc(c(c1C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C (C)C=CC=C(C)CCC=C(C)C)C)C)C; CC(C)=CCCC( \C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C =C\C=C(C)\C=C\c1c(C)ccc(C)c1C |
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene |
| 20227 | F27 CHEMBL260747 ZINC000029151241 |
2 | C24 H18 N2 O4 | InChI=1S/C24H18N2O4/c27-2 1(14-11-16-9-12-18(13-10- 16)17-5-2-1-3-6-17)23-25- 15-22(30-23)19-7-4-8-20(2 6-19)24(28)29/h1-10,12-13 ,15H,11,14H2,(H,28,29); VGYASWDHSIVABN-UHFFFAOYSA-N |
O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3 ccccc3)cc4; c1ccc(cc1)c2ccc(cc2)CCC(=O)c 3ncc(o3)c4cccc(n4)C(=O)O; OC(=O)c1cccc(n 1)c2oc(nc2)C(=O)CCc3ccc(cc3)c4ccccc4 |
6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid; 6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate |
| 20228 | F28 | 1 | C21 H22 N2 O2 | InChI=1S/C21H22N2O2/c24-1 5-22-13-11-18(12-14-22)23 -20(17-9-5-2-6-10-17)19(2 1(23)25)16-7-3-1-4-8-16/h 1-10,15,18-20H,11-14H2/t1 9-,20+/m1/s1; DIWMCVCOMCANGI-UXHICEINSA-N |
c1ccc(cc1)[C@@H]2[C@H](N(C2=O)C3CCN(CC3) C=O)c4ccccc4; O=CN1CCC(CC1)N2[CH]([CH](C 2=O)c3ccccc3)c4ccccc4; c1ccc(cc1)C2C(N(C 2=O)C3CCN(CC3)C=O)c4ccccc4; O=CN1CCC(CC1 )N2[C@H]([C@@H](C2=O)c3ccccc3)c4ccccc4 |
4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde |
| 20229 | F29 CHEMBL199395 ZINC000028565539 |
1 | C21 H17 N7 | InChI=1S/C21H17N7/c1-2-11 -28-21-15(20(22)26-28)13- 16(23-24-21)18-17-10-6-7- 12-27(17)25-19(18)14-8-4- 3-5-9-14/h2-10,12-13H,1,1 1H2,(H2,22,26); WHPQRPGHYADIAQ-UHFFFAOYSA-N |
C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c (n1)N; Nc1nn(CC=C)c2nnc(cc12)c3c4ccccn4n c3c5ccccc5; n1nc5c(cc1c3c4ccccn4nc3c2ccc cc2)c(nn5C\C=C)N |
1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE; FR296110 |
| 20230 | F2A CHEMBL1162297 |
10 | C11 H18 N5 O11 P3 | InChI=1S/C11H18N5O11P3/c1 2-10-9-11(14-3-13-10)16(4 -15-9)8-1-6(17)7(26-8)2-2 5-28(18,19)5-29(20,21)27- 30(22,23)24/h3-4,6-8,17H, 1-2,5H2,(H,18,19)(H,20,21 )(H2,12,13,14)(H2,22,23,2 4)/t6-,7+,8+/m0/s1; XETARULVTCYJAN-XLPZGREQSA-N |
O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1 c(ncnc12)N)CC3O; c1nc(c2c(n1)n(cn2)C3CC( C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3 )CO[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N ; Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P ](O)(=O)C[P](O)(=O)O[P](O)(O)=O)O3; Nc1n cnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P@] (O)(=O)C[P@@](O)(=O)O[P](O)(O)=O)O3 |
2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine |
| 20231 | F2B DB07742 |
2 | C14 H12 F2 N2 O3 S | InChI=1S/C14H12F2N2O3S/c1 5-12-3-1-2-10(13(12)16)8- 18-14(19)9-4-6-11(7-5-9)2 2(17,20)21/h1-7H,8H2,(H,1 8,19)(H2,17,20,21); QASSMVGOSBNFQY-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(F)c2 F; c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O )(=O)N; Fc1c(cccc1F)CNC(=O)c2ccc(cc2)S(= O)(=O)N |
N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE |
| 20232 | F2C CHEMBL219942 ZINC000034803644 |
2 | C22 H22 N2 O4 | InChI=1S/C22H22N2O4/c25-1 9(14-7-2-1-4-9-16-10-5-3- 6-11-16)21-23-15-20(28-21 )17-12-8-13-18(24-17)22(2 6)27/h3,5-6,8,10-13,15H,1 -2,4,7,9,14H2,(H,26,27); DZMRAEAGLIEJDZ-UHFFFAOYSA-N |
OC(=O)c1cccc(n1)c2oc(nc2)C(=O)CCCCCCc3cc ccc3; O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCCC CCc3ccccc3; c1ccc(cc1)CCCCCCC(=O)c2ncc(o 2)c3cccc(n3)C(=O)O |
6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid; 6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate |
| 20233 | F2D CHEMBL1911517 ZINC000073163197 |
2 | C19 H25 N O | InChI=1S/C19H25NO/c1-3-4- 5-6-7-8-9-13-17-15(2)19(2 1)16-12-10-11-14-18(16)20 -17/h8-12,14H,3-7,13H2,1- 2H3,(H,20,21)/b9-8+; XICKFFMQHHMRFO-CMDGGOBGSA-N |
CCCCCCC=CCC1=C(C(=O)c2ccccc2N1)C; CCCCCC /C=C/CC1=C(C)C(=O)c2ccccc2N1; CCCCCCC=CC C1=C(C)C(=O)c2ccccc2N1; CCCCCC/C=C/CC1=C (C(=O)c2ccccc2N1)C; O=C1c2ccccc2NC(C\C=C \CCCCCC)=C1C |
3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one |
| 20234 | F2E | 0 | C24 H32 Br N5 O4 | InChI=1S/C24H32BrN5O4/c1- 17(34-15-5-14-31)22(28-24 (33)27-16-18-8-10-19(26)1 1-9-18)23(32)30-13-4-12-2 9(30)21-7-3-2-6-20(21)25/ h2-3,6-11,17,22,31H,4-5,1 2-16,26H2,1H3,(H2,27,28,3 3)/t17-,22+/m1/s1; LJKCBQRVXGGZLY-VGSWGCGISA-N |
C[C@@H](OCCCO)[C@H](NC(=O)NCc1ccc(N)cc1) C(=O)N2CCCN2c3ccccc3Br; C[CH](OCCCO)[CH] (NC(=O)NCc1ccc(N)cc1)C(=O)N2CCCN2c3ccccc 3Br; CC(C(C(=O)N1CCCN1c2ccccc2Br)NC(=O)N Cc3ccc(cc3)N)OCCCO; C[C@H]([C@@H](C(=O)N 1CCCN1c2ccccc2Br)NC(=O)NCc3ccc(cc3)N)OCC CO |
1-[(4-aminophenyl)methyl]-3-[(2~{S},3~{R})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea |
| 20235 | F2F CHEMBL1232622 ZINC000000113751 |
0 | C9 H9 F2 N O2 | InChI=1S/C9H9F2NO2/c10-6- 2-1-5(3-7(6)11)4-8(12)9(1 3)14/h1-3,8H,4,12H2,(H,13 ,14)/t8-/m0/s1; PRAWYXDDKCVZTL-QMMMGPOBSA-N |
N[CH](Cc1ccc(F)c(F)c1)C(O)=O; Fc1ccc(cc1 F)CC(C(=O)O)N; c1cc(c(cc1CC(C(=O)O)N)F)F ; c1cc(c(cc1C[C@@H](C(=O)O)N)F)F; N[C@@H ](Cc1ccc(F)c(F)c1)C(O)=O |
3,4-difluoro-L-phenylalanine |
| 20236 | F2G | 0 | C21 H45 N3 O7 | InChI=1S/C21H45N3O7/c1-12 (2)18(24-21(30)31-11-15-8 -6-5-7-9-15)20(29)22-13(3 )19(28)23-16(14(4)25)10-1 7(26)27/h12-30H,5-11H2,1- 4H3/t13-,14-,16-,18-,19-, 20+,21?/m0/s1; BUMYZNBKAXTDQY-XJSQVEEBSA-N |
CC(C)[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)O )[C@H](C)O)O)O)NC(O)OCC1CCCCC1; CC(C)[C@ H](N[C@@H](O)OCC1CCCCC1)[C@@H](O)N[C@@H] (C)[C@H](O)N[C@@H](CC(O)O)[C@H](C)O; CC( C)C(C(NC(C)C(NC(CC(O)O)C(C)O)O)O)NC(O)OC C1CCCCC1; CC(C)[CH](N[CH](O)OCC1CCCCC1)[ CH](O)N[CH](C)[CH](O)N[CH](CC(O)O)[CH](C )O; O(C(O)NC(C(C)C)C(O)NC(C)C(O)NC(CC(O) O)C(O)C)CC1CCCCC1 |
3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOL |
| 20237 | F2H | 4 | C35 H22 N4 O15 S4 | InChI=1S/C35H26N4O15S4/c4 0-33(38-25-13-15-27(55(43 ,44)45)23-9-3-11-29(31(23 )25)57(49,50)51)19-5-1-7- 21(17-19)36-35(42)37-22-8 -2-6-20(18-22)34(41)39-26 -14-16-28(56(46,47)48)24- 10-4-12-30(32(24)26)58(52 ,53)54/h1-18H,(H,38,40)(H ,39,41)(H2,36,37,42)(H,43 ,44,45)(H,46,47,48)(H,49, 50,51)(H,52,53,54)/p-4; DKTDCAGZLFSGDS-UHFFFAOYSA-J |
[O-][S](=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O) Nc3cccc(c3)C(=O)Nc4ccc(c5cccc(c45)[S]([O -])(=O)=O)[S]([O-])(=O)=O)c2)c6c1cccc6[S ]([O-])(=O)=O; c1cc(cc(c1)NC(=O)Nc2cccc( c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-]) S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(= O)(=O)[O-])S(=O)(=O)[O-] |
4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate |
| 20238 | F2I CHEMBL373533 ZINC000024904840 |
1 | C32 H38 F2 I N3 O3 | InChI=1S/C32H38F2IN3O3/c1 -4-9-38(10-5-2)32(41)25-1 2-21(3)11-24(17-25)31(40) 37-29(16-23-13-26(33)18-2 7(34)14-23)30(39)20-36-19 -22-7-6-8-28(35)15-22/h6- 8,11-15,17-18,29-30,36,39 H,4-5,9-10,16,19-20H2,1-3 H3,(H,37,40)/t29-,30+/m0/ s1; FSQSHDXWJKXBPP-XZWHSSHBSA-N |
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c c(c2)F)F)C(CNCc3cccc(c3)I)O)C; Ic1cc(ccc 1)CNCC(O)C(NC(=O)c2cc(cc(C(=O)N(CCC)CCC) c2)C)Cc3cc(F)cc(F)c3; CCCN(CCC)C(=O)c1cc (cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@ H](CNCc3cccc(c3)I)O)C; CCCN(CCC)C(=O)c1c c(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH ](O)CNCc3cccc(I)c3; CCCN(CCC)C(=O)c1cc(C )cc(c1)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H ](O)CNCc3cccc(I)c3 |
N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE |
| 20239 | F2J | 6 | C18 H20 N4 S | InChI=1S/C18H20N4S/c19-18 (17-2-1-11-23-17)21-14-3- 4-16-13(12-14)7-10-22(16) 15-5-8-20-9-6-15/h1-4,7,1 0-12,15,20H,5-6,8-9H2,(H2 ,19,21); XLCWIOAUURXLIX-UHFFFAOYSA-N |
N=C(Nc1ccc2n(ccc2c1)C3CCNCC3)c4sccc4; c1 cc(sc1)C(=N)Nc2ccc3c(c2)ccn3C4CCNCC4; [H ]/N=C(\c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4 ; c4(/C(Nc1cc2c(cc1)n(cc2)C3CCNCC3)=N)cc cs4 |
N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide |
| 20240 | F2K ZINC000000103154 |
2 | C14 H9 Cl N4 O3 | InChI=1S/C14H9ClN4O3/c15- 7-3-1-6(2-4-7)9-8(5-16)11 (17)22-13-10(9)12(20)18-1 4(21)19-13/h1-4,9H,17H2,( H2,18,19,20,21)/t9-/m0/s1; BQFPJAOKBASIPO-VIFPVBQESA-N |
NC1=C(C#N)[CH](c2ccc(Cl)cc2)C3=C(NC(=O)N C3=O)O1; c1cc(ccc1C2C(=C(OC3=C2C(=O)NC(= O)N3)N)C#N)Cl; c1cc(ccc1[C@H]2C(=C(OC3=C 2C(=O)NC(=O)N3)N)C#N)Cl; NC1=C(C#N)[C@H] (c2ccc(Cl)cc2)C3=C(NC(=O)NC3=O)O1 |
(5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile |
| 20241 | F2L ZINC000000138473 |
1 | C8 H7 F2 N O | InChI=1S/C8H7F2NO/c1-5(12 )11-8-6(9)3-2-4-7(8)10/h2 -4H,1H3,(H,11,12); BAFSDKCDEQVQMT-UHFFFAOYSA-N |
CC(=O)Nc1c(F)cccc1F; CC(=O)Nc1c(cccc1F)F | ~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide |
| 20242 | F2M ZINC000584905538 |
2 | C9 H13 N O | InChI=1S/C9H13NO/c1-3-6-1 0(2)8-9-5-4-7-11-9/h3-7H, 8H2,1-2H3/b6-3+; DBDADMSUVDNQKI-ZZXKWVIFSA-N |
C\C=C\N(C)Cc1occc1; CC=CN(C)Cc1occc1; C/ C=C/N(C)Cc1ccco1; CC=CN(C)Cc1ccco1 |
(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine; F2MPA |
| 20243 | F2N ZINC000196956743 |
2 | C36 H43 N9 O16 P2 | InChI=1S/C36H43N9O16P2/c1 -17-10-20-21(11-18(17)2)4 5(25(48)9-8-19-6-4-3-5-7- 19)27-33(41-36(53)42-34(2 7)52)43(20)12-22(46)28(49 )23(47)13-58-62(54,55)61- 63(56,57)59-14-24-29(50)3 0(51)35(60-24)44-16-40-26 -31(37)38-15-39-32(26)44/ h3-7,10-11,15-16,22-24,28 -30,35,46-47,49-51H,8-9,1 2-14H2,1-2H3,(H,54,55)(H, 56,57)(H2,37,38,39)(H2,41 ,42,52,53)/t22-,23+,24+,2 8-,29+,30+,35+/m0/s1; ASOSNULLFLNYFZ-NEHYRMIBSA-N |
Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@ @H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[ C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O) O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7; Cc1cc 2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P ](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc 5c(N)ncnc45)C6=C(N(C(=O)CCc7ccccc7)c2cc1 C)C(=O)NC(=O)N6; Cc1cc2N(C[C@H](O)[C@H]( O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C @H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)nc nc45)C6=C(N(C(=O)CCc7ccccc7)c2cc1C)C(=O) NC(=O)N6; Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(C OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5n cnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccc cc7; O=C(N2c1cc(c(cc1N(C3=C2C(=O)NC(=O)N 3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC (n5cnc4c(ncnc45)N)C(O)C6O)C)C)CCc7ccccc7 |
[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE; 1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINE DINUCLEOTIDE |
| 20244 | F2O | 0 | Fe2 O | InChI=1/2Fe.O/rFe2O/c1-3- 2; NPMYUMBHPJGBFA-KJHRQHKYAV |
[Fe]O[Fe]; O([Fe])[Fe] | MU-OXO-DIIRON(III) |
| 20245 | F2P DB02760 ZINC000016051613 |
20 | C6 H16 O12 P2 | InChI=1S/C6H16O12P2/c7-3( 1-17-19(11,12)13)5(9)6(10 )4(8)2-18-20(14,15)16/h3- 10H,1-2H2,(H2,11,12,13)(H 2,14,15,16)/t3-,4+,5-,6+; WOYYTQHMNDWRCW-FBXFSONDSA-N |
C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O) O)O)O)OP(=O)(O)O; C(C(C(C(C(COP(=O)(O)O) O)O)O)O)OP(=O)(O)O; O=P(O)(O)OCC(O)C(O)C (O)C(O)COP(=O)(O)O; O[C@H](CO[P](O)(O)=O )[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(O)= O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH ](O)CO[P](O)(O)=O |
1,6-DI-O-PHOSPHONO-D-ALLITOL |
| 20246 | F2R ZINC000087493115 |
2 | C21 H35 N9 O15 P2 | InChI=1S/C21H35N9O15P2/c2 2-8(20(35)36)2-1-3-25-21( 24)29-18-14(33)12(31)9(43 -18)4-41-46(37,38)45-47(3 9,40)42-5-10-13(32)15(34) 19(44-10)30-7-28-11-16(23 )26-6-27-17(11)30/h6-10,1 2-15,18-19,31-34H,1-5,22H 2,(H,35,36)(H,37,38)(H,39 ,40)(H2,23,26,27)(H3,24,2 5,29)/t8-,9+,10+,12+,13+, 14+,15+,18-,19+/m0/s1; IWVSYNGKNZFSSA-PTDVUUCPSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OCC4C(C(C(O4)NC(=N)NCCCC(C(=O)O) N)O)O)O)O)N; [H]/N=C(\NCCC[C@@H](C(=O)O) N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O )(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H] (O2)n3cnc4c3ncnc4N)O)O)O)O; N[CH](CCCNC( =N)N[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC [CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc3 4)[CH](O)[CH]1O)C(O)=O; N[C@@H](CCCNC(=N )N[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)n3cnc4c(N) ncnc34)[C@@H](O)[C@H]1O)C(O)=O |
ADP-ribosyl-L-arginine |
| 20247 | F2S | 1 | C34 H44 N8 O3 | InChI=1S/C34H44N8O3/c1-6- 23(2)42-28-10-8-7-9-26(28 )33(44)39(4)29-22-35-34(3 7-31(29)42)36-27-12-11-24 (21-30(27)45-5)32(43)41-1 5-13-25(14-16-41)40-19-17 -38(3)18-20-40/h7-12,21-2 3,25H,6,13-20H2,1-5H3,(H, 35,36,37)/t23-/m1/s1; ACWOMSOYIIVIRV-HSZRJFAPSA-N |
CC[CH](C)N1c2ccccc2C(=O)N(C)c3cnc(Nc4ccc (cc4OC)C(=O)N5CCC(CC5)N6CCN(C)CC6)nc13; CC[C@@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)N c4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C ; CC[C@@H](C)N1c2ccccc2C(=O)N(C)c3cnc(Nc 4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(C)CC6)nc 13; c3(C(N1CCC(CC1)N2CCN(CC2)C)=O)ccc(c( c3)OC)Nc6ncc5N(C(=O)c4c(cccc4)N(C(C)CC)c 5n6)C; CCC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3 )Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C )C |
11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
| 20248 | F2T | 0 | C9 H12 F N2 O7 P S | InChI=1S/C9H12FN2O7PS/c10 -6-7(14)4(3-18-20(16,17)2 1)19-8(6)12-2-1-5(13)11-9 (12)15/h1-2,4,6-8,14H,3H2 ,(H,11,13,15)(H2,16,17,21 )/t4-,6-,7-,8-/m1/s1; GAVMOIRMDKJPDM-XVFCMESISA-N |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)S) O)F; O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(S) =O)N2C=CC(=O)NC2=O; O[C@H]1[C@@H](F)[C@@ H](O[C@@H]1CO[P](O)(S)=O)N2C=CC(=O)NC2=O ; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([ C@H](O2)COP(=O)(O)S)O)F; P(S)(=O)(OCC1OC (C(C1O)F)N2C(=O)NC(=O)C=C2)O |
2'-deoxy-2'-fluoro-5'-O-thiophosphonouridine |
| 20249 | F2U ZINC000098208851 |
2 | C11 H10 F2 N2 O5 | InChI=1S/C11H10F2N2O5/c1- 2-5-3-15(10(19)14-8(5)18) 9-11(12,13)7(17)6(4-16)20 -9/h1,3,6-7,9,16-17H,4H2, (H,14,18,19)/t6-,7-,9-/m1 /s1; JFVJRPYRLUHQTG-ZXFLCMHBSA-N |
OC[C@H]1O[C@@H](N2C=C(C#C)C(=O)NC2=O)C(F )(F)[C@@H]1O; OC[CH]1O[CH](N2C=C(C#C)C(= O)NC2=O)C(F)(F)[CH]1O; C#CC1=CN(C(=O)NC1 =O)C2C(C(C(O2)CO)O)(F)F; O=C1NC(=O)N(C=C 1C#C)C2OC(C(O)C2(F)F)CO; C#CC1=CN(C(=O)N C1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F |
2'-deoxy-5-ethynyl-2',2'-difluorouridine; 2'-deoxy-2',2'-difluoro-5-ethynyluridine |
| 20250 | F2V | 8 | C20 H20 Cl F3 N6 | InChI=1S/C20H20ClF3N6/c1- 28-12-27-17-16(28)18(26-1 1-25-17)30-7-5-19(10-30)4 -6-29(9-19)13-2-3-14(15(2 1)8-13)20(22,23)24/h2-3,8 ,11-12H,4-7,9-10H2,1H3/t1 9-/m1/s1; CAPZLSKZPWSIKV-LJQANCHMSA-N |
Cn1cnc2c1c(ncn2)N3CCC4(C3)CCN(C4)c5ccc(c (c5)Cl)C(F)(F)F; Cn1cnc2ncnc(N3CC[C@@]4( CCN(C4)c5ccc(c(Cl)c5)C(F)(F)F)C3)c12; Cn 1cnc2ncnc(N3CC[C]4(CCN(C4)c5ccc(c(Cl)c5) C(F)(F)F)C3)c12; Cn1cnc2c1c(ncn2)N3CC[C@ ]4(C3)CCN(C4)c5ccc(c(c5)Cl)C(F)(F)F |
6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine |
| 20251 | F2W | 2 | C12 H18 N O2 | InChI=1S/C12H17NO2/c1-13- 5-4-9-6-11(14-2)12(15-3)7 -10(9)8-13/h6-7H,4-5,8H2, 1-3H3/p+1; TXPPKWZEHFNZOE-UHFFFAOYSA-O |
COc1cc2CC[NH+](C)Cc2cc1OC; C[NH+]1CCc2cc (c(cc2C1)OC)OC |
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium |
| 20252 | F2X | 5 | C11 H10 O3 | InChI=1S/C11H10O3/c1-6-5- 9(13)10-7(11(6)14)3-2-4-8 (10)12/h2-4,6,12H,5H2,1H3 /t6-/m1/s1; ALPCEXCHMFUSAN-ZCFIWIBFSA-N |
CC1CC(=O)c2c(cccc2O)C1=O; C[C@@H]1CC(=O) c2c(cccc2O)C1=O; C[C@@H]1CC(=O)c2c(O)ccc c2C1=O; C[CH]1CC(=O)c2c(O)cccc2C1=O |
(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione |
| 20253 | F2Y ZINC000006091244 |
2 | C9 H9 F2 N O3 | InChI=1S/C9H9F2NO3/c10-5- 1-4(2-6(11)8(5)13)3-7(12) 9(14)15/h1-2,7,13H,3,12H2 ,(H,14,15)/t7-/m0/s1; KPKMCRFCNWVLDA-ZETCQYMHSA-N |
Fc1cc(cc(F)c1O)CC(C(=O)O)N; c1c(cc(c(c1F )O)F)CC(C(=O)O)N; c1c(cc(c(c1F)O)F)C[C@@ H](C(=O)O)N; N[CH](Cc1cc(F)c(O)c(F)c1)C( O)=O; N[C@@H](Cc1cc(F)c(O)c(F)c1)C(O)=O |
3,5-difluoro-L-tyrosine |
| 20254 | F2Z ZINC000005208833 |
2 | C11 H13 N O3 | InChI=1S/C11H13NO3/c1-14- 9-3-7-5-11(13)12-6-8(7)4- 10(9)15-2/h3-4H,5-6H2,1-2 H3,(H,12,13); FRBTVJSVXIIDIG-UHFFFAOYSA-N |
COc1cc2c(cc1OC)CNC(=O)C2; COc1cc2CNC(=O) Cc2cc1OC |
6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one |
| 20255 | F30 ZINC000221870524 |
13 | C16 H11 Br N6 O | InChI=1S/C16H11BrN6O/c17- 13-8-18-14-5-4-10(7-12(13 )14)16(24)19-11-3-1-2-9(6 -11)15-20-22-23-21-15/h1- 8,18H,(H,19,24)(H,20,21,2 2,23); XFHGTCMLEBYPMZ-UHFFFAOYSA-N |
Brc1c[NH]c2ccc(cc21)C(=O)Nc1cccc(c1)c1nn n[NH]1; Brc1c[nH]c2ccc(cc12)C(=O)Nc3cccc (c3)c4[nH]nnn4; c1cc(cc(c1)NC(=O)c2ccc3c (c2)c(c[nH]3)Br)c4[nH]nnn4 |
3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide |
| 20256 | F31 CHEMBL4059543 ZINC000008730218 |
2 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-6(11 )7-3-4-8(10)9(5-7)12-2/h3 -5H,10H2,1-2H3; LNRPHCWGORQWPI-UHFFFAOYSA-N |
CC(=O)c1ccc(c(c1)OC)N; COc1cc(ccc1N)C(C) =O |
1-(4-azanyl-3-methoxy-phenyl)ethanone |
| 20257 | F32 CHEMBL440955 ZINC000014952792 |
1 | C25 H21 N5 O3 S2 | InChI=1S/C25H21N5O3S2/c31 -23-14-22(35(32,33)30-23) 16-11-9-15(10-12-16)13-20 (24-26-17-5-1-2-6-18(17)2 7-24)29-25-28-19-7-3-4-8- 21(19)34-25/h1-12,20,22H, 13-14H2,(H,26,27)(H,28,29 )(H,30,31)/t20-,22-/m0/s1; CQVSNNWJZWEETM-UNMCSNQZSA-N |
O=C1C[CH](c2ccc(C[CH](Nc3sc4ccccc4n3)c5[ nH]c6ccccc6n5)cc2)[S](=O)(=O)N1; O=C1C[C @@H](c2ccc(C[C@H](Nc3sc4ccccc4n3)c5[nH]c 6ccccc6n5)cc2)[S](=O)(=O)N1; O=C6NS(=O)( =O)C(c1ccc(cc1)CC(c2nc3ccccc3n2)Nc4nc5cc ccc5s4)C6; c1ccc2c(c1)[nH]c(n2)[C@H](Cc3 ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)Nc5nc6ccc cc6s5; c1ccc2c(c1)[nH]c(n2)C(Cc3ccc(cc3) C4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5 |
(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE |
| 20258 | F33 CHEMBL5270676 ZINC000040556047 |
2 | C17 H13 N3 O3 | InChI=1S/C17H13N3O3/c21-1 6-13-3-1-2-4-14(13)18-15( 19-16)11-5-7-12(8-6-11)20 -9-10-23-17(20)22/h1-8H,9 -10H2,(H,18,19,21); PIZDAXYCXABQQI-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4 =O; O=C3c4ccccc4N=C(c2ccc(N1C(=O)OCC1)cc 2)N3; O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCO C4=O |
2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE |
| 20259 | F34 | 2 | C8 H16 N2 O4 | InChI=1S/C8H16N2O4/c1-4(1 1)10-5-2-9-3-6(12)8(14)7( 5)13/h5-9,12-14H,2-3H2,1H 3,(H,10,11)/t5-,6+,7+,8+/ m0/s1; RGHXJBVAPJFIEQ-LXGUWJNJSA-N |
CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O ; O=C(NC1CNCC(O)C(O)C1O)C; CC(=O)N[C@H]1 CNC[C@@H](O)[C@@H](O)[C@@H]1O; CC(=O)NC1 CNCC(C(C1O)O)O; CC(=O)N[CH]1CNC[CH](O)[C H](O)[CH]1O |
N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide |
| 20260 | F35 ZINC000053846154 |
2 | C18 H14 N4 O3 | InChI=1S/C18H14N4O3/c23-1 5-9-19-18(25)22(15)10-11- 5-7-12(8-6-11)16-20-14-4- 2-1-3-13(14)17(24)21-16/h 1-8H,9-10H2,(H,19,25)(H,2 0,21,24); MSABHXUZVKSEJF-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O )CNC4=O; O=C1CNC(=O)N1Cc2ccc(cc2)C3=Nc4c cccc4C(=O)N3; O=C1c4ccccc4N=C(N1)c2ccc(c c2)CN3C(=O)CNC3=O |
3-[[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione |
| 20261 | F36 ZINC000048603441 |
2 | C16 H12 N2 O2 | InChI=1S/C16H12N2O2/c1-10 (19)11-6-8-12(9-7-11)15-1 7-14-5-3-2-4-13(14)16(20) 18-15/h2-9H,1H3,(H,17,18, 20); VLRQJLLWRMXGLP-UHFFFAOYSA-N |
CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2; O=C (c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)C |
2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one |
| 20262 | F37 ZINC000053845960 |
4 | C18 H14 N4 O3 | InChI=1S/C18H14N4O3/c1-18 (16(24)21-17(25)22-18)11- 8-6-10(7-9-11)14-19-13-5- 3-2-4-12(13)15(23)20-14/h 2-9H,1H3,(H,19,20,23)(H2, 21,22,24,25)/t18-/m0/s1; SBPOIJPCJCMVPV-SFHVURJKSA-N |
O=C1c4ccccc4N=C(N1)c2ccc(cc2)C3(C(=O)NC( =O)N3)C; C[C@]1(NC(=O)NC1=O)c2ccc(cc2)C3 =Nc4ccccc4C(=O)N3; CC1(C(=O)NC(=O)N1)c2c cc(cc2)C3=Nc4ccccc4C(=O)N3; C[C]1(NC(=O) NC1=O)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3; C[C @@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc 4C(=O)N3 |
(5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione |
| 20263 | F38 ZINC000053846141 |
2 | C15 H13 N3 O3 S | InChI=1S/C15H13N3O3S/c16- 22(20,21)9-10-5-7-11(8-6- 10)14-17-13-4-2-1-3-12(13 )15(19)18-14/h1-8H,9H2,(H 2,16,20,21)(H,17,18,19); BSTJFPSLLBHMAU-UHFFFAOYSA-N |
N[S](=O)(=O)Cc1ccc(cc1)C2=Nc3ccccc3C(=O) N2; c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS( =O)(=O)N; O=S(=O)(N)Cc3ccc(C2=Nc1c(cccc1 )C(=O)N2)cc3 |
[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide |
| 20264 | F39 | 19 | C58 H86 O7 | InChI=1S/C58H86O7/c1-12-1 3-14-15-16-17-18-19-20-36 -53(59)63-42-52-54(60)55( 61)56(62)57(64-52)65-58(1 0,11)41-26-35-46(5)33-24- 32-45(4)31-23-29-43(2)27- 21-22-28-44(3)30-25-34-47 (6)37-40-51-49(8)39-38-48 (7)50(51)9/h21-25,27-34,3 7-40,52,54-57,60-62H,12-2 0,26,35-36,41-42H2,1-11H3 /b22-21?,29-23+,30-25?,32 -24+,40-37+,43-27+,44-28? ,45-31+,46-33?,47-34-/t52 -,54-,55+,56-,57-/m1/s1; NXEFUAFHBLRHFO-DDUHONCASA-N |
CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC(C)(C)C CCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C= Cc2c(ccc(c2C)C)C)C)C)C)O)O)O; CCCCCCCCCC CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H]( O1)OC(C)(C)CCCC(=CC=C/C(=C/C=C/C(=C/C=CC =C(C)C=CC=C(C)C=Cc2c(ccc(c2C)C)C)/C)/C)C )O)O)O; CCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O C(C)(C)CCC\C(C)=C/C=C/C(C)=C/C=C/C(C)=C/ C=C\C=C(C)/C=C\C=C(C)/C=C/c2c(C)ccc(C)c2 C)[C@H](O)[C@@H](O)[C@@H]1O; CCCCCCCCCCC C(=O)OC[CH]1O[CH](OC(C)(C)CCCC(C)=CC=CC( C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc2c(C) ccc(C)c2C)[CH](O)[CH](O)[CH]1O |
[(2R,3S,4S,5R,6R)-6-[(10E,12E,14E)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate |
| 20265 | F3A ZINC000059258122 |
1 | C11 H16 F2 N5 O11 P3 | InChI=1S/C11H16F2N5O11P3/ c12-11(13,31(22,23)29-32( 24,25)26)30(20,21)27-2-6- 5(19)1-7(28-6)18-4-17-8-9 (14)15-3-16-10(8)18/h3-7, 19H,1-2H2,(H,20,21)(H,22, 23)(H2,14,15,16)(H2,24,25 ,26)/t5-,6+,7+/m0/s1; SRDWTQAPDNVDMA-RRKCRQDMSA-N |
Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO [P](O)(=O)C(F)(F)[P](O)(=O)O[P](O)(O)=O) O3; c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H ](O3)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O) (O)O)O)O)N; c1nc(c2c(n1)n(cn2)C3CC(C(O3) COP(=O)(C(F)(F)P(=O)(O)OP(=O)(O)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P] (O)(=O)C(F)(F)[P](O)(=O)O[P](O)(O)=O)O3; O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC3OC (n2cnc1c(ncnc12)N)CC3O |
2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine |
| 20266 | F3B ZINC000001701567 |
1 | C6 Cl3 F3 | InChI=1S/C6Cl3F3/c7-1-4(1 0)2(8)6(12)3(9)5(1)11; QPXZZPSKCVNHFW-UHFFFAOYSA-N |
Fc1c(Cl)c(F)c(Cl)c(F)c1Cl; c1(c(c(c(c(c1 Cl)F)Cl)F)Cl)F; Clc1c(F)c(Cl)c(F)c(Cl)c1 F |
1,3,5-trichloro-2,4,6-trifluorobenzene |
| 20267 | F3C | 2 | C10 H17 F N3 O12 P3 | InChI=1S/C10H17FN3O12P3/c 11-9(27(17,18)19)28(20,21 )26-29(22,23)24-4-6-5(15) 3-8(25-6)14-2-1-7(12)13-1 0(14)16/h1-2,5-6,8-9,15H, 3-4H2,(H,20,21)(H,22,23)( H2,12,13,16)(H2,17,18,19) /t5-,6+,8+,9+/m0/s1; CDDSHZIEMFLZDN-HIORRCEOSA-N |
NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P] (O)(=O)O[P](O)(=O)[CH](F)[P](O)(O)=O)O2; C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O) (O)OP(O)(C(P(=O)(O)O)F)=O; NC1=NC(=O)N(C =C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)O[ P](O)(=O)[C@H](F)[P](O)(O)=O)O2; C1C(C(O C1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)P (=O)(O)O)O)O; C1[C@@H]([C@H](O[C@H]1N2C= CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](F)P(= O)(O)O)O)O |
2'-deoxy-5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
| 20268 | F3D | 2 | C31 H36 N4 O2 | InChI=1S/C31H36N4O2/c1-4- 28(23-9-6-5-7-10-23)31(25 -14-17-29-26(21-25)22-33- 34-29)24-12-15-27(16-13-2 4)37-20-19-32-18-8-11-30( 36)35(2)3/h5-7,9-10,12-17 ,21-22,32H,4,8,11,18-20H2 ,1-3H3,(H,33,34)/b31-28+; MWRRXSSGLMVYRJ-CCFHIKDMSA-N |
CCC(=C(c1ccc(cc1)OCCNCCCC(=O)N(C)C)c2ccc 3c(c2)cn[nH]3)c4ccccc4; CC\C(c1ccccc1)=C (\c2ccc(OCCNCCCC(=O)N(C)C)cc2)c3ccc4[nH] ncc4c3; CCC(c1ccccc1)=C(c2ccc(OCCNCCCC(= O)N(C)C)cc2)c3ccc4[nH]ncc4c3; CC/C(=C(/c 1ccc(cc1)OCCNCCCC(=O)N(C)C)\c2ccc3c(c2)c n[nH]3)/c4ccccc4; C(/C(c1ccccc1)=C(/c2cc c(cc2)OCCNCCCC(N(C)C)=O)c3ccc4nncc4c3)C |
4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide |
| 20269 | F3E CHEMBL1834385 ZINC000000400269 |
11 | C10 H9 N3 | InChI=1S/C10H9N3/c11-10-1 2-7-6-9(13-10)8-4-2-1-3-5 -8/h1-7H,(H2,11,12,13); DMEGQEWPMXDRMO-UHFFFAOYSA-N |
c1ccc(cc1)c2ccnc(n2)N; Nc1nccc(n1)c2cccc c2 |
4-phenylpyrimidin-2-amine |
| 20270 | F3F CHEMBL379642 DB07743 |
1 | C16 H8 F3 N3 O2 S | InChI=1S/C16H8F3N3O2S/c17 -16(18,19)14-20-15(22-21- 14)25-13(23)12-9-8-11(24- 12)7-6-10-4-2-1-3-5-10/h1 -5,8-9H,(H,20,21,22); VNGWUVBXUIDQTK-UHFFFAOYSA-N |
FC(F)(F)c3nnc(SC(=O)c2oc(C#Cc1ccccc1)cc2 )n3; FC(F)(F)c1[nH]c(SC(=O)c2oc(cc2)C#Cc 3ccccc3)nn1; c1ccc(cc1)C#Cc2ccc(o2)C(=O) Sc3[nH]c(nn3)C(F)(F)F |
S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE |
| 20271 | F3H ZINC000098208852 |
0 | C11 H16 F N2 O8 P | InChI=1S/C11H16FN2O8P/c1- 5-2-14(11(17)13-10(5)16)6 -3-21-7(9(15)8(6)12)4-22- 23(18,19)20/h2,6-9,15H,3- 4H2,1H3,(H,13,16,17)(H2,1 8,19,20)/t6-,7-,8+,9-/m1/ s1; RHZOVKWYBYFNDA-LURQLKTLSA-N |
CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]( [C@H]2F)O)COP(=O)(O)O; CC1=CN([CH]2CO[CH ](CO[P](O)(O)=O)[CH](O)[CH]2F)C(=O)NC1=O ; CC1=CN(C(=O)NC1=O)C2COC(C(C2F)O)COP(=O )(O)O; CC1=CN([C@@H]2CO[C@H](CO[P](O)(O) =O)[C@@H](O)[C@H]2F)C(=O)NC1=O; O=P(O)(O )OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O |
1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol; 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(thymin-1-yl)-D-altritol-5-dihydrogenphosphate |
| 20272 | F3I | 3 | C2 H10 O8 Rh2 | InChI=1S/C2H4O2.6H2O.2Rh/ c1-2(3)4;;;;;;;;/h2H,1H3; 6*1H2;;/q-2;;;;;;;2*+5/p- 6; VGUGBQHQEXDINJ-UHFFFAOYSA-H |
CC1O[Rh+]([Rh+](O1)(O)(O)O)(O)(O)O; CC(O [Rh+](O)(O)O)O[Rh+](O)(O)O |
(mi2-acetato-O, O')-hexaaquo-dirhodium (II) |
| 20273 | F3J | 1 | C34 H42 N8 O3 | InChI=1S/C34H42N8O3/c1-38 -17-19-40(20-18-38)24-13- 15-41(16-14-24)32(43)23-1 1-12-27(30(21-23)45-3)36- 34-35-22-29-31(37-34)42(2 5-7-6-8-25)28-10-5-4-9-26 (28)33(44)39(29)2/h4-5,9- 12,21-22,24-25H,6-8,13-20 H2,1-3H3,(H,35,36,37); BPXUPQRJNWPFQU-UHFFFAOYSA-N |
CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC) Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7; C Oc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CC C5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7; C1C( CCN(C1)C(=O)c2ccc(c(c2)OC)Nc3nc5c(cn3)N( C(=O)c4c(cccc4)N5C6CCC6)C)N7CCN(C)CC7 |
11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
| 20274 | F3K | 0 | C38 H21 Br N12 Ru | InChI=1S/C18H9BrN4.2C10H6 N4.Ru/c19-10-5-6-13-14(9- 10)23-18-12-4-2-8-21-16(1 2)15-11(17(18)22-13)3-1-7 -20-15;2*1-2-8-10(14-6-4- 12-8)9-7(1)11-3-5-13-9;/h 1-9H;2*1-6H;/q;;;+6; GGJUTRYLGSTFEQ-UHFFFAOYSA-N |
c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([ n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c 1[n+]7ccnc1cc2)nc1cc(ccc1n3)Br; Brc1ccc2 nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9 ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12cc nc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1 |
Ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine) |
| 20275 | F3L | 2 | C17 H16 Cl F N4 O4 S | InChI=1S/C17H16ClFN4O4S/c 18-12-2-4-16(22-7-12)28(2 5,26)23-8-15(17(24,9-21)1 0-23)27-13-3-1-11(6-20)14 (19)5-13/h1-5,7,15,24H,8- 10,21H2/t15-,17-/m0/s1; IQEGRQYYSXOUJI-RDJZCZTQSA-N |
c1cc(c(cc1OC2CN(CC2(CN)O)S(=O)(=O)c3ccc( cn3)Cl)F)C#N; NC[C]1(O)CN(C[CH]1Oc2ccc(C #N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3; c1cc( c(cc1O[C@H]2CN(C[C@]2(CN)O)S(=O)(=O)c3cc c(cn3)Cl)F)C#N; NC[C@]1(O)CN(C[C@@H]1Oc2 ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3 |
4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile; 4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile; CHEMBL4550510 |
| 20276 | F3M ZINC000032038192 |
0 | C6 H10 F3 N O3 | InChI=1S/C6H10F3NO3/c1-13 -4(12)2-3(11)5(10)6(7,8)9 /h3,5,11H,2,10H2,1H3/t3-, 5+/m0/s1; ZVARBPCHAKEWAX-WVZVXSGGSA-N |
COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O; COC(= O)CC(C(C(F)(F)F)N)O; COC(=O)C[CH](O)[CH] (N)C(F)(F)F; O=C(OC)CC(O)C(N)C(F)(F)F; C OC(=O)C[C@H](O)[C@@H](N)C(F)(F)F |
methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate |
| 20277 | F3N ZINC000098208853 |
0 | C19 H24 N7 O7 P | InChI=1S/C19H24N7O7P/c20- 11(6-10-4-2-1-3-5-10)18(2 8)25-13-12(7-32-34(29,30) 31)33-19(15(13)27)26-9-24 -14-16(21)22-8-23-17(14)2 6/h1-5,8-9,11-13,15,19,27 H,6-7,20H2,(H,25,28)(H2,2 1,22,23)(H2,29,30,31)/t11 -,12+,13+,15+,19+/m0/s1; FGNMGARNYLAFLT-YCOMJZELSA-N |
c1ccc(cc1)CC(C(=O)NC2C(OC(C2O)n3cnc4c3nc nc4N)COP(=O)(O)O)N; c1ccc(cc1)C[C@@H](C( =O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c 3ncnc4N)COP(=O)(O)O)N; O=P(O)(O)OCC4OC(n 2cnc1c(ncnc12)N)C(O)C4NC(=O)C(N)Cc3ccccc 3; N[C@@H](Cc1ccccc1)C(=O)N[C@H]2[C@@H]( O)[C@@H](O[C@@H]2CO[P](O)(O)=O)n3cnc4c(N )ncnc34; N[CH](Cc1ccccc1)C(=O)N[CH]2[CH] (O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(N)nc nc34 |
3'-deoxy-3'-(L-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) |
| 20278 | F3O | 0 | C19 H23 N6 O8 P | InChI=1S/C19H23N6O8P/c20- 11(6-10-4-2-1-3-5-10)19(2 7)33-15-12(7-31-34(28,29) 30)32-18(14(15)26)25-9-24 -13-16(21)22-8-23-17(13)2 5/h1-5,8-9,11-12,14-15,18 ,26H,6-7,20H2,(H2,21,22,2 3)(H2,28,29,30)/t11-,12+, 14+,15+,18+/m0/s1; DITNEQHUTYSTHA-URQYDQELSA-N |
c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C @H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O) N; O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O) C4OC(=O)C(N)Cc3ccccc3; N[CH](Cc1ccccc1)C (=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)= O)n3cnc4c(N)ncnc34; N[C@@H](Cc1ccccc1)C( =O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P]( O)(O)=O)n3cnc4c(N)ncnc34; c1ccc(cc1)CC(C (=O)OC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O )O)N |
3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate) |
| 20279 | F3P | 2 | C10 H23 F O7 P2 | InChI=1S/C10H23FO7P2/c1-8 (2)6-5-7-10(4,9(3)11)17-2 0(15,16)18-19(12,13)14/h8 -9H,5-7H2,1-4H3,(H,15,16) (H2,12,13,14)/t9?,10-/m0/ s1; JUOIVVAWJCVSPX-AXDSSHIGSA-N |
CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(= O)(O)O; CC(C)CCC[C](C)(O[P](O)(=O)O[P](O )(O)=O)[CH](C)F; CC(C)CCC[C@](C)(O[P@](O )(=O)O[P](O)(O)=O)[C@H](C)F; CC(C)CCCC(C )(C(C)F)OP(=O)(O)OP(=O)(O)O; O=P(OP(=O)( OC(C(F)C)(C)CCCC(C)C)O)(O)O |
(1S)-1-[(1S)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE; 2-FLUOROLINALYL DIPHOSPHATE |
| 20280 | F3Q CHEMBL3958369 DB18365 |
5 | C43 H42 N4 O6 | InChI=1S/C43H42N4O6/c48-3 4-15-13-32(14-16-34)47(31 -10-2-1-3-11-31)43(50)37- 23-39(45-17-7-6-12-38(37) 45)35-24-40-41(53-28-52-4 0)25-36(35)42(49)46-26-30 -9-5-4-8-29(30)22-33(46)2 7-44-18-20-51-21-19-44/h1 -5,8-11,13-16,23-25,33,48 H,6-7,12,17-22,26-28H2/t3 3-/m0/s1; VYXJULKGMXJVGI-XIFFEERXSA-N |
c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CC CC4)c5cc6c(cc5C(=O)N7Cc8ccccc8CC7CN9CCOC C9)OCO6; Oc1ccc(cc1)N(C(=O)c2cc(n3CCCCc2 3)c4cc5OCOc5cc4C(=O)N6Cc7ccccc7C[CH]6CN8 CCOCC8)c9ccccc9; c1ccc(cc1)N(c2ccc(cc2)O )C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc 8ccccc8C[C@H]7CN9CCOCC9)OCO6; Oc1ccc(cc1 )N(C(=O)c2cc(n3CCCCc23)c4cc5OCOc5cc4C(=O )N6Cc7ccccc7C[C@H]6CN8CCOCC8)c9ccccc9 |
~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide |
| 20281 | F3R ZINC000071796054 |
12 | C12 H20 N6 O2 | InChI=1S/C12H20N6O2/c1-8( 11(20)14-12-15-17-18-16-1 2)13-10(19)7-9-5-3-2-4-6- 9/h8-9H,2-7H2,1H3,(H,13,1 9)(H2,14,15,16,17,18,20)/ t8-/m0/s1; BNGVCLIJCHQJSI-QMMMGPOBSA-N |
C[CH](NC(=O)CC1CCCCC1)C(=O)Nc2[nH]nnn2; CC(C(=O)Nc1[nH]nnn1)NC(=O)CC2CCCCC2; C[C @@H](C(=O)Nc1[nH]nnn1)NC(=O)CC2CCCCC2; C [C@H](NC(=O)CC1CCCCC1)C(=O)Nc2[nH]nnn2; O=C(Nc1nnn[NH]1)C(C)NC(=O)CC1CCCCC1 |
N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide |
| 20282 | F3S | 712 | Fe3 S4 | InChI=1S/3Fe.4S; FCXHZBQOKRZXKS-UHFFFAOYSA-N |
S1[Fe]S[Fe]2S[Fe]1S2; S1[Fe]2S[Fe]3[S]2[ Fe]1S3 |
FE3-S4 CLUSTER |
| 20283 | F3T ZINC000098208854 |
0 | C5 H8 F3 N O3 | InChI=1S/C5H8F3NO3/c6-5(7 ,8)4(9)2(10)1-3(11)12/h2, 4,10H,1,9H2,(H,11,12)/t2- ,4+/m0/s1; RLFDKCZBPFUOAZ-ZAFYKAAXSA-N |
C(C(C(C(F)(F)F)N)O)C(=O)O; N[CH]([CH](O) CC(O)=O)C(F)(F)F; FC(F)(F)C(N)C(O)CC(=O) O; C([C@@H]([C@H](C(F)(F)F)N)O)C(=O)O; N [C@H]([C@@H](O)CC(O)=O)C(F)(F)F |
4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonic acid |
| 20284 | F3U | 0 | C21 H12 O6 | InChI=1S/C21H12O6/c22-10- 11-1-4-14(21(25)26)17(7-1 1)20-15-5-2-12(23)8-18(15 )27-19-9-13(24)3-6-16(19) 20/h1-10,23H,(H,25,26); CYKLSLGBUUWGRE-UHFFFAOYSA-N |
c1cc(c(cc1C=O)C2=C3C=CC(=O)C=C3Oc4c2ccc( c4)O)C(=O)O; OC(=O)c1ccc(C=O)cc1C2=C3C=C C(=O)C=C3Oc4cc(O)ccc24 |
4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid |
| 20285 | F3V ZINC000004658570 |
16 | C3 H7 N O | InChI=1S/C3H7NO/c1-3(5)2- 4/h2,4H2,1H3; BCDGQXUMWHRQCB-UHFFFAOYSA-N |
CC(=O)CN; NCC(=O)C | 1-aminopropan-2-one |
| 20286 | F3W CHEMBL4129641 |
2 | C23 H21 N5 | InChI=1S/C23H21N5/c24-12- 5-7-16-6-4-8-17(14-16)23- 27-20-15-26-22-19(11-13-2 5-22)21(20)28(23)18-9-2-1 -3-10-18/h4-8,11,13-15,18 H,1-3,9-10H2,(H,25,26)/b7 -5+; JIDRJSPIWPPOBL-FNORWQNLSA-N |
c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH ]4)/C=C/C#N; c1cc(cc(c1)c2nc3cnc4c(c3n2C 5CCCCC5)cc[nH]4)C=CC#N; N#C\C=C\c1cccc(c 1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5; N#CC=Cc 1cccc(c1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5 |
(~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile |
| 20287 | F3Y | 1 | C20 H26 N2 O2 | InChI=1S/C20H26N2O2/c1-3- 5-6-13-24-19-12-8-11-18(1 5-19)21-16-9-7-10-17(14-1 6)22-20(23)4-2/h7-12,14-1 5,21H,3-6,13H2,1-2H3,(H,2 2,23); QMKCCMACIHDBEU-UHFFFAOYSA-N |
CCCCCOc1cccc(c1)Nc2cccc(c2)NC(=O)CC; CCC CCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1 |
~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide |
| 20288 | F3Z CHEMBL3590107 ZINC000096174209 |
1 | C33 H33 N9 O2 | InChI=1S/C33H33N9O2/c43-3 0(42-18-16-41(17-19-42)27 -5-2-24(3-6-27)32-35-11-1 -12-36-32)22-40-15-10-25( 21-40)33(44)37-26-4-7-29- 28(20-26)31(39-38-29)23-8 -13-34-14-9-23/h1-9,11-14 ,20,25H,10,15-19,21-22H2, (H,37,44)(H,38,39)/t25-/m 1/s1; HDAJDNHIBCDLQF-RUZDIDTESA-N |
O=C(CN1CC[C@H](C1)C(=O)Nc2ccc3[nH]nc(c4c cncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7; O=C(CN1CC[CH](C1)C(=O)Nc2ccc3[nH]nc(c4c cncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7; c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4C C[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7cc ncc7; c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O )CN4CCC(C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7c cncc7 |
(3~{R})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{N}-(3-pyridin-4-yl-1~{H}-indazol-5-yl)pyrrolidine-3-carboxamide |
| 20289 | F40 CHEMBL127066 ZINC000017917305 |
2 | C14 H10 N2 O | InChI=1S/C14H10N2O/c17-14 -11-8-4-5-9-12(11)15-13(1 6-14)10-6-2-1-3-7-10/h1-9 H,(H,15,16,17); VDULOAUXSMYUMG-UHFFFAOYSA-N |
O=C2c3ccccc3N=C(c1ccccc1)N2; O=C1NC(=Nc2 ccccc12)c3ccccc3; c1ccc(cc1)C2=Nc3ccccc3 C(=O)N2 |
2-phenyl-3H-quinazolin-4-one |
| 20290 | F41 CHEMBL1921970 ZINC000004826933 |
2 | C14 H18 N2 O3 | InChI=1S/C14H18N2O3/c17-1 4(9-16-6-2-1-3-7-16)15-11 -4-5-12-13(8-11)19-10-18- 12/h4-5,8H,1-3,6-7,9-10H2 ,(H,15,17); KUAQEDPYOBHGFT-UHFFFAOYSA-N |
O=C(Nc1ccc2OCOc2c1)CN3CCCCC3; O=C(CN1CCC CC1)Nc2ccc3OCOc3c2; c1cc2c(cc1NC(=O)CN3C CCCC3)OCO2 |
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide |
| 20291 | F42 DB03913 ZINC000198210272 |
71 | C29 H36 N5 O18 P | InChI=1S/C29H36N5O18P/c1- 12(25(42)31-17(28(46)47)4 -6-21(38)30-16(27(44)45)5 -7-22(39)40)52-53(49,50)5 1-11-20(37)23(41)19(36)10 -34-18-9-14(35)3-2-13(18) 8-15-24(34)32-29(48)33-26 (15)43/h2-3,8-9,12,16-17, 19-20,23,35-37,41H,4-7,10 -11H2,1H3,(H,30,38)(H,31, 42)(H,39,40)(H,44,45)(H,4 6,47)(H,49,50)(H,33,43,48 )/t12-,16-,17-,19-,20+,23 -/m0/s1; GEHSZWRGPHDXJO-NALJQGANSA-N |
C[CH](O[P](O)(=O)OC[CH](O)[CH](O)[CH](O) CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=O) N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)= O; C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](C CC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H ]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)N C3=O)O)O)O)O; CC(C(=O)NC(CCC(=O)NC(CCC(= O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2 cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O; C[C@H ](O[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H]( O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(= O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O )C(O)=O; O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O) C(OP(=O)(O)OCC(O)C(O)C(O)CN3c1c(ccc(O)c1 )C=C2C3=NC(=O)NC2=O)C)CCC(=O)O |
COENZYME F420 |
| 20292 | F43 | 236 | C42 H51 N6 Ni O13 | InChI=1S/C42H52N6O13.Ni/c 1-40(16-30(43)50)22(5-9-3 3(54)55)27-15-42-41(2,17- 31(51)48-42)23(6-10-34(56 )57)26(47-42)13-24-20(11- 35(58)59)19(4-8-32(52)53) 39(45-24)37-28(49)7-3-18- 21(12-36(60)61)25(46-38(1 8)37)14-29(40)44-27;/h13, 18-23,25,27H,3-12,14-17H2 ,1-2H3,(H9,43,45,46,47,48 ,49,50,51,52,53,54,55,56, 57,58,59,60,61);/q;+2/p-1 /t18-,19-,20-,21-,22+,23+ ,25+,27-,40-,41-,42-;/m0. /s1; XLFIRMYGVLUNOY-SXMZNAGASA-M |
C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@]( C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8 N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@ H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O )(C)CC(=O)N)CCC(=O)O; CC12CC(=O)NC13CC4C (C(C5=[N]4[Ni+]67[N]3=C(C2CCC(=O)O)C=C8N 6C(=C9C(=O)CCC1C9=[N]7C(C5)C1CC(=O)O)C(C 8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O; C [C@]1(CC(N)=O)[C@H](CCC(O)=O)[C@@H]2C[C@ ]34NC(=O)C[C@@]3(C)[C@H](CCC(O)=O)C5=N4| [Ni+]|67|N2=C1C[C@H]8N|6=C9[C@@H](CCC(=O )C9=C%10[C@@H](CCC(O)=O)[C@H](CC(O)=O)C( =C5)[N@@]7%10)[C@@H]8CC(O)=O; C[C]1(CC(N )=O)[CH](CCC(O)=O)[CH]2C[C]34NC(=O)C[C]3 (C)[CH](CCC(O)=O)C5=N4|[Ni+]|67|N2=C1C[C H]8N|6=C9[CH](CCC(=O)C9=C%10[CH](CCC(O)= O)[CH](CC(O)=O)C(=C5)[N]7%10)[CH]8CC(O)= O |
FACTOR 430 |
| 20293 | F44 | 1 | C13 H14 N2 | InChI=1S/C13H14N2/c1-3-10 -14-12(6-1)8-5-9-13-7-2-4 -11-15-13/h1-4,6-7,10-11H ,5,8-9H2; UHPWYBATPHCMGD-UHFFFAOYSA-N |
c1cccnc1CCCc2ccccn2; c1ccnc(c1)CCCc2cccc n2; C(Cc1ccccn1)Cc2ccccn2 |
2,2'-(propane-1,3-diyl)dipyridine |
| 20294 | F45 CHEMBL3827618 ZINC000584905546 |
5 | C18 H12 F N O4 | InChI=1S/C18H12FNO4/c19-1 2-6-4-11(9-16(12)22)18(24 )14-3-1-2-13(20-14)10-5-7 -15(21)17(23)8-10/h1-9,21 -23H; USZFAGSFWNNZLX-UHFFFAOYSA-N |
Oc1ccc(cc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c 3; Fc1ccc(cc1O)C(c2nc(ccc2)c3ccc(c(c3)O) O)=O; c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3c cc(c(c3)O)O |
[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone |
| 20295 | F46 CHEMBL3086685 ZINC000098208855 |
1 | C33 H30 F N3 O5 | InChI=1S/C33H30FN3O5/c34- 29-11-8-24(18-30(29)36-33 (39)22-4-2-1-3-5-22)35-25 -7-10-27-31(19-25)42-21-2 3-6-9-26(20-28(23)32(27)3 8)41-17-14-37-12-15-40-16 -13-37/h1-11,18-20,35H,12 -17,21H2,(H,36,39); OPUXVIDSMSFXIU-UHFFFAOYSA-N |
Fc1ccc(Nc2ccc3C(=O)c4cc(OCCN5CCOCC5)ccc4 COc3c2)cc1NC(=O)c6ccccc6; Fc2ccc(cc2NC(= O)c1ccccc1)Nc5ccc6C(=O)c4cc(OCCN3CCOCC3) ccc4COc6c5; c1ccc(cc1)C(=O)Nc2cc(ccc2F)N c3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6 |
N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide |
| 20296 | F47 CHEMBL2170957 ZINC000006745205 |
1 | C17 H12 F N5 O | InChI=1S/C17H12FN5O/c18-1 3-5-3-12(4-6-13)15-10-19- 17-21-20-16(23(17)22-15)9 -11-1-7-14(24)8-2-11/h1-8 ,10,24H,9H2; NBRHZLRAQNRJSZ-UHFFFAOYSA-N |
c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O; Fc4ccc(c1nn2c(nnc2nc1)Cc3ccc(O)cc3)cc4; Oc1ccc(Cc2nnc3ncc(nn23)c4ccc(F)cc4)cc1 |
4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol |
| 20297 | F48 CHEMBL4127590 |
2 | C21 H21 N5 O | InChI=1S/C21H21N5O/c22-11 -4-7-15-8-9-18(27-15)21-2 5-17-13-24-20-16(10-12-23 -20)19(17)26(21)14-5-2-1- 3-6-14/h8-10,12-14H,1-7H2 ,(H,23,24); PLKGAHIHTTYWEV-UHFFFAOYSA-N |
N#CCCc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCC CC5; c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCC C5)cc[nH]4 |
3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile |
| 20298 | F49 ZINC000263620896 |
2 | C14 H10 Br4 N2 O5 | InChI=1S/C14H10Br4N2O5/c1 -25-13-6(9(15)10(16)11(17 )12(13)18)4-20-7(21)2-3-1 9(14(20)24)5-8(22)23/h2-3 H,4-5H2,1H3,(H,22,23); PNUIJCFYKFVAMT-UHFFFAOYSA-N |
Brc1c(OC)c(c(Br)c(Br)c1Br)CN2C(=O)C=CN(C 2=O)CC(=O)O; COc1c(Br)c(Br)c(Br)c(Br)c1C N2C(=O)C=CN(CC(O)=O)C2=O; COc1c(c(c(c(c1 Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O |
[2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid |
| 20299 | F4A CHEMBL1241463 ZINC000006422975 |
1 | C12 H10 N6 O | InChI=1S/C12H10N6O/c13-10 (19)7-1-3-8(4-2-7)18-12-9 -11(15-5-14-9)16-6-17-12/ h1-6H,(H2,13,19)(H2,14,15 ,16,17,18); HNZGNBCVBQTPNR-UHFFFAOYSA-N |
O=C(N)c1ccc(cc1)Nc2ncnc3c2ncn3; c1cc(ccc 1C(=O)N)Nc2c3c([nH]cn3)ncn2; NC(=O)c1ccc (Nc2ncnc3[nH]cnc23)cc1 |
4-[(9H-purin-6-yl)amino]benzamide |
| 20300 | F4B CHEMBL4128266 |
2 | C21 H19 N5 O | InChI=1S/C21H19N5O/c22-11 -4-7-15-8-9-18(27-15)21-2 5-17-13-24-20-16(10-12-23 -20)19(17)26(21)14-5-2-1- 3-6-14/h4,7-10,12-14H,1-3 ,5-6H2,(H,23,24)/b7-4+; UUVPPNMLZDVPOR-QPJJXVBHSA-N |
N#C/C=C/c1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5 CCCCC5; c1cc(oc1C=CC#N)c2nc3cnc4c(c3n2C5 CCCCC5)cc[nH]4; c1cc(oc1/C=C/C#N)c2nc3cn c4c(c3n2C5CCCCC5)cc[nH]4; N#CC=Cc1oc(cc1 )c2nc3cnc4[nH]ccc4c3n2C5CCCCC5 |
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile |
| 20301 | F4C CHEMBL1232634 ZINC000058650813 |
1 | C24 H16 F4 N4 O2 | InChI=1S/C24H16F4N4O2/c25 -17-5-7-18(8-6-17)32-23(3 4)19(13-21(31-32)15-9-11- 29-12-10-15)22(33)30-14-1 6-3-1-2-4-20(16)24(26,27) 28/h1-13H,14H2,(H,30,33); SZWDNHQJXXWUBD-UHFFFAOYSA-N |
c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(c c3)F)c4ccncc4)C(F)(F)F; FC(F)(F)c1ccccc1 CNC(=O)C=2C(=O)N(N=C(C=2)c3ccncc3)c4ccc( F)cc4; Fc1ccc(cc1)N2N=C(C=C(C(=O)NCc3ccc cc3C(F)(F)F)C2=O)c4ccncc4 |
2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide |
| 20302 | F4D CHEMBL3099589 ZINC000098208856 |
1 | C25 H21 F N6 O4 S | InChI=1S/C25H21FN6O4S/c26 -17-5-11-20(12-6-17)37(33 ,34)32-21-13-14-22(35-18- 7-1-15(2-8-18)23(27)28)31 -25(21)36-19-9-3-16(4-10- 19)24(29)30/h1-14,32H,(H3 ,27,28)(H3,29,30); CVYPHGJZNLYSHQ-UHFFFAOYSA-N |
c1cc(ccc1C(=N)N)Oc2ccc(c(n2)Oc3ccc(cc3)C (=N)N)NS(=O)(=O)c4ccc(cc4)F; [H]/N=C(\c1 ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H] )/N)NS(=O)(=O)c4ccc(cc4)F)/N; NC(=N)c1cc c(Oc2ccc(N[S](=O)(=O)c3ccc(F)cc3)c(Oc4cc c(cc4)C(N)=N)n2)cc1; Fc1ccc(cc1)S(=O)(=O )Nc4ccc(Oc2ccc(C(=[N@H])N)cc2)nc4Oc3ccc( C(=[N@H])N)cc3 |
4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide |
| 20303 | F4E CHEMBL4247887 ZINC000003030560 |
2 | C8 H7 N O3 | InChI=1S/C8H7NO3/c1-11-8( 10)6-4-7-5(9-6)2-3-12-7/h 2-4,9H,1H3; LIIJOCBTGRORSY-UHFFFAOYSA-N |
COC(=O)c1cc2c([nH]1)cco2; COC(=O)c1[nH]c 2ccoc2c1 |
methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate |
| 20304 | F4F | 2 | C15 H22 O5 | InChI=1S/C15H22O5/c1-8(2) 10-4-5-15(3,19)12-11(10)6 -9(13(16)17)7-20-14(12)18 /h6,8,10-12,19H,4-5,7H2,1 -3H3,(H,16,17)/t10-,11-,1 2-,15+/m1/s1; TVCGWSMBKPHYFK-BLTAXRJOSA-N |
CC(C)[C@H]1CC[C@](C)(O)[C@@H]2[C@@H]1C=C (COC2=O)C(O)=O; CC(C)[CH]1CC[C](C)(O)[CH ]2[CH]1C=C(COC2=O)C(O)=O; CC(C)C1CCC(C2C 1C=C(COC2=O)C(=O)O)(C)O; CC(C)[C@H]1CC[C @]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(C)O |
(5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid |
| 20305 | F4G CHEMBL4091092 |
1 | C13 H10 N4 O | InChI=1S/C13H10N4O/c14-12 (18)10-4-2-6-17-11(8-16-1 3(10)17)9-3-1-5-15-7-9/h1 -8H,(H2,14,18); WEFADYMRJJMXCA-UHFFFAOYSA-N |
O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3; c1cc(cn c1)c2cnc3n2cccc3C(=O)N; NC(=O)c1cccn2c(c nc12)c3cccnc3 |
3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide |
| 20306 | F4H ZINC000098208857 |
0 | C11 H16 F N2 O8 P | InChI=1S/C11H16FN2O8P/c1- 5-2-14(11(17)13-10(5)16)6 -3-21-7(9(15)8(6)12)4-22- 23(18,19)20/h2,6-9,15H,3- 4H2,1H3,(H,13,16,17)(H2,1 8,19,20)/t6-,7-,8-,9-/m1/ s1; RHZOVKWYBYFNDA-FNCVBFRFSA-N |
CC1=CN([CH]2CO[CH](CO[P](O)(O)=O)[CH](O) [CH]2F)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C2C OC(C(C2F)O)COP(=O)(O)O; CC1=CN(C(=O)NC1= O)[C@@H]2CO[C@@H]([C@H]([C@@H]2F)O)COP(= O)(O)O; CC1=CN([C@@H]2CO[C@H](CO[P](O)(O )=O)[C@@H](O)[C@@H]2F)C(=O)NC1=O; O=P(O) (O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O |
1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-mannitol |
| 20307 | F4I ZINC000087520267 |
1 | C24 H29 N4 O15 P | InChI=1S/C24H29N4O15P/c1- 10(21(35)25-14(23(37)38)4 -5-18(32)33)43-44(40,41)4 2-9-17(31)19(34)16(30)8-2 8-15-7-12(29)3-2-11(15)6- 13-20(28)26-24(39)27-22(1 3)36/h2-3,6-7,10,14,16-17 ,19,30-31,34H,4-5,8-9H2,1 H3,(H,25,35)(H,32,33)(H,3 7,38)(H,40,41)(H2,26,27,3 6,39)/t10-,14-,16-,17+,19 -/m0/s1; RSZBQCOVWYZBFJ-LADHFWMSSA-N |
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)OP( =O)(O)OC[C@H]([C@H]([C@H](CN1C2=CC(=O)C= CC2=CC3=C1NC(=O)NC3=O)O)O)O; CC(C(=O)NC( CCC(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=C C(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O; C[C@ H](O[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H] (O)CN1C2=C(C=C3C=CC(=O)C=C13)C(=O)NC(=O) N2)C(=O)N[C@@H](CCC(O)=O)C(O)=O; C[CH](O [P](O)(=O)OC[CH](O)[CH](O)[CH](O)CN1C2=C (C=C3C=CC(=O)C=C13)C(=O)NC(=O)N2)C(=O)N[ CH](CCC(O)=O)C(O)=O; O=C(O)C(CCC(=O)O)NC (=O)C(C)OP(=O)(O)OCC(O)C(O)C(O)CN1C=2NC( =O)NC(=O)C=2C=C2C=CC(=O)C=C21 |
(2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid; Coeznyme F420-1 |
| 20308 | F4J | 1 | C13 H8 N6 O | InChI=1S/C13H8N6O/c20-13- 9-2-1-8(3-7(9)4-14-13)19- 12-10-11(16-5-15-10)17-6- 18-12/h1-6H,(H2,15,16,17, 18,19); PQHXLRLXDDKGGR-UHFFFAOYSA-N |
O=C1c2c(C=N1)cc(cc2)Nc3c4ncnc4ncn3; O=C1 N=Cc2cc(Nc3ncnc4nc[nH]c34)ccc12; c1cc2c( cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O |
5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one |
| 20309 | F4K CHEMBL4244103 ZINC000000159036 |
3 | C11 H11 N O | InChI=1S/C11H11NO/c13-9-1 0-3-5-11(6-4-10)12-7-1-2- 8-12/h1-8,13H,9H2; LQQQPLUFBVYLRE-UHFFFAOYSA-N |
OCc1ccc(cc1)n2cccc2; c1ccn(c1)c2ccc(cc2) CO |
(4-pyrrol-1-ylphenyl)methanol |
| 20310 | F4L | 12 | C17 H21 N7 O3 | InChI=1S/C17H21N7O3/c1-17 (2,3)27-16(26)19-13(14(25 )20-15-21-23-24-22-15)8-1 0-9-18-12-7-5-4-6-11(10)1 2/h4-7,9,13,18H,8H2,1-3H3 ,(H,19,26)(H2,20,21,22,23 ,24,25)/t13-/m1/s1; OGAGNLWYSIOVOG-CYBMUJFWSA-N |
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C (=O)Nc3[nH]nnn3; CC(C)(C)OC(=O)N[CH](Cc1 c[nH]c2ccccc12)C(=O)Nc3[nH]nnn3; CC(C)(C )OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH] nnn3; CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1c ccc2)C(=O)Nc3[nH]nnn3; O=C(Nc1nnn[NH]1)C (Cc1c[NH]c2ccccc21)NC(=O)OC(C)(C)C |
Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide |
| 20311 | F4M | 1 | C31 H45 N6 O17 P | InChI=1S/C31H45N6O17P/c1- 13(22-14(2)34-27-23(37(22 )12-38)28(46)36-31(32)35- 27)33-16-5-3-15(4-6-16)9- 17(39)24(43)18(40)10-51-3 0-26(45)25(44)20(53-30)11 -52-55(49,50)54-19(29(47) 48)7-8-21(41)42/h3-6,12-1 4,17-20,22,24-26,30,33,39 -40,43-45H,7-11H2,1-2H3,( H,41,42)(H,47,48)(H,49,50 )(H4,32,34,35,36,46)/t13- ,14?,17+,18-,19-,20-,22?, 24+,25-,26-,30+/m1/s1; RMPHWTMYCVTPKB-DSWDSYRTSA-N |
C[C@@H](Nc1ccc(C[C@H](O)[C@H](O)[C@H](O) CO[C@H]2O[C@H](CO[P](O)(=O)O[C@H](CCC(O) =O)C(O)=O)[C@@H](O)[C@H]2O)cc1)[C@H]3[C@ @H](C)NC4=C(N3C=O)C(=O)N=C(N)N4; O=C2N=C (N)NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC (O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(= O)O)CCC(=O)O)O)C; C[CH](Nc1ccc(C[CH](O)[ CH](O)[CH](O)CO[CH]2O[CH](CO[P](O)(=O)O[ CH](CCC(O)=O)C(O)=O)[CH](O)[CH]2O)cc1)[C H]3[CH](C)NC4=C(N3C=O)C(=O)N=C(N)N4; CC1 C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3 ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[ C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](C CC(=O)O)C(=O)O)O)O)O)O)O; CC1C(N(C2=C(N1 )NC(=NC2=O)N)C=O)C(C)Nc3ccc(cc3)CC(C(C(C OC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O )O)O)O)O)O |
1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol; N5-formyl-tetrahydromethanopterin |
| 20312 | F4N CHEMBL393525 DB17047 ZINC000028652818 |
2 | C16 H14 Br N5 O4 S | InChI=1S/C16H14BrN5O4S/c1 -11-3-5-13(22(23)24)7-15( 11)27(25,26)20(2)19-9-14- 8-18-16-6-4-12(17)10-21(1 4)16/h3-10H,1-2H3/b19-9+; QTHCAAFKVUWAFI-DJKKODMXSA-N |
CN(N=Cc1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc( ccc3C)[N+]([O-])=O; CN(/N=C/c1cnc2ccc(Br )cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O ; Cc1ccc(cc1S(=O)(=O)N(C)N=Cc2cnc3n2cc(c c3)Br)[N+](=O)[O-]; Cc1ccc(cc1S(=O)(=O)N (C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-] |
~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide |
| 20313 | F4O | 2 | C40 H53 N O14 | InChI=1S/C40H53NO14/c1-16 -13-12-14-17(2)38(50)41-2 8-19(4)36(55-23(8)42)24-2 5(34(28)48)32(46)21(6)35( 53-10)26(24)30(44)18(3)15 -40(9,52)37(49)22(7)33(47 )27(39(51)54-11)31(45)20( 5)29(16)43/h12-16,20,22,2 7,29,31,33,37,43,45-49,52 H,1-11H3,(H,41,50)/b13-12 -,17-14+,18-15+/t16-,20-, 22+,27-,29-,31-,33-,37+,4 0-/m1/s1; KVBRXYBSUWPYTK-JYNZOJPESA-N |
Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O )C(=CC(C(C(C(C(C(C(C(C(C=CC=C(C(=O)N2)C) C)O)C)O)C(=O)OC)O)C)O)(C)O)C)O; Cc1c2c(c 3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[ C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]( [C@@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)C)O)C )O)C(=O)OC)O)C)O)(C)O)/C)O; COC(=O)[CH]1 [CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(= O)Nc2c(C)c(OC(C)=O)c3c(c(O)c(C)c(OC)c3C( =O)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1O)C)c 2O; COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H]( O)[C@H](C)/C=C\C=C(C)\C(=O)Nc2c(C)c(OC(C )=O)c3c(c(O)c(C)c(OC)c3C(=O)\C(=C\[C@@]( C)(O)[C@@H](O)[C@@H](C)[C@H]1O)C)c2O |
6-methoxy-streptovaricin C |
| 20314 | F4P CHEMBL1232635 ZINC000058650815 |
3 | C20 H19 F2 N5 O | InChI=1S/C20H19F2N5O/c21- 17-5-1-15(2-6-17)19(16-3- 7-18(22)8-4-16)25-9-11-26 (12-10-25)20(28)27-14-23- 13-24-27/h1-8,13-14,19H,9 -12H2; UIOVHJYJUUSVIG-UHFFFAOYSA-N |
O=C(N3CCN(C(c1ccc(F)cc1)c2ccc(F)cc2)CC3) n4ncnc4; c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC 3)C(=O)n4cncn4)F; Fc1ccc(cc1)C(N2CCN(CC2 )C(=O)n3cncn3)c4ccc(F)cc4 |
1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine |
| 20315 | F4Q | 0 | C13 H16 N5 O7 P | InChI=1S/C13H16N5O7P/c14- 11-16-8-7(9(19)17-11)15-4 -18(8)6-3-12(20)1-5-2-13( 5,10(12)24-6)25-26(21,22) 23/h4-6,10,20H,1-3H2,(H2, 21,22,23)(H3,14,16,17,19) /t5-,6-,10+,12+,13-/m1/s1; MBCAKWZNBKUSBI-CFFIBIDHSA-N |
c1nc2c(n1C3CC4(CC5CC5(C4O3)OP(=O)(O)O)O) N=C(NC2=O)N; c1nc2c(n1[C@H]3C[C@]4(C[C@@ H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N=C(NC2 =O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O) C[CH]5C[C]5(O[P](O)(O)=O)[CH]4O3; NC1=Nc 2n(cnc2C(=O)N1)[C@H]3C[C@@]4(O)C[C@@H]5C [C@]5(O[P](O)(O)=O)[C@H]4O3 |
[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
| 20316 | F4R | 2 | C13 H27 N S | InChI=1S/C13H27NS/c1-2-3- 4-5-6-7-8-9-10-11-12-14-1 3-15/h13H,2-12H2,1H3,(H,1 4,15); BDXCOJKIHNDCOM-UHFFFAOYSA-N |
CCCCCCCCCCCCNC=S | N-dodecylmethanethioamide |
| 20317 | F4S | 23 | Fe4 S3 | InChI=1S/4Fe.3S; QQACTBFBZNWJMV-UHFFFAOYSA-N |
[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3; [Fe]| 1|2|S3[Fe]S|1[Fe]S|2[Fe]3 |
FE4-S3 CLUSTER; T-CLUSTER |
| 20318 | F4T CHEMBL4249054 |
1 | C21 H26 N2 O5 S | InChI=1S/C21H26N2O5S/c1-2 7-17-8-10-18(11-9-17)29(2 5,26)22-19-15-16(21(24)28 -2)7-12-20(19)23-13-5-3-4 -6-14-23/h7-12,15,22H,3-6 ,13-14H2,1-2H3; KUHNIQWJBKIEFH-UHFFFAOYSA-N |
COC(=O)c1ccc(N2CCCCCC2)c(N[S](=O)(=O)c3c cc(OC)cc3)c1; COc1ccc(cc1)S(=O)(=O)Nc2cc (ccc2N3CCCCCC3)C(=O)OC |
methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate |
| 20319 | F4U CHEMBL560448 |
1 | C13 H10 N2 O5 | InChI=1S/C13H10N2O5/c16-6 -1-2-7-8(5-6)13(20)15(12( 7)19)9-3-4-10(17)14-11(9) 18/h1-2,5,9,16H,3-4H2,(H, 14,17,18)/t9-/m0/s1; LJBQRRQTZUJWRC-VIFPVBQESA-N |
c1cc2c(cc1O)C(=O)N(C2=O)C3CCC(=O)NC3=O; c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3 =O; Oc1ccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(= O)c2c1; Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O) C(=O)c2c1 |
2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione |
| 20320 | F4W CHEMBL4175931 ZINC000005072974 |
2 | C12 H12 N2 O3 S | InChI=1S/C12H12N2O3S/c15- 9(16)5-4-8-13-11(17)10-6- 2-1-3-7(6)18-12(10)14-8/h 1-5H2,(H,15,16)(H,13,14,1 7); XKPJAYXICQQVTD-UHFFFAOYSA-N |
C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1; OC( =O)CCC1=Nc2sc3CCCc3c2C(=O)N1 |
3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid |
| 20321 | F4X | 4 | C32 H42 N O8 | InChI=1S/C32H41NO8/c1-32( 2)23-10-7-8-11-24(23)33(1 9-9-5-3-4-6-12-27(35)36)2 6(32)18-15-21-13-16-22(17 -14-21)40-31-30(39)29(38) 28(37)25(20-34)41-31/h7-8 ,10-11,13-18,25,28-31,34, 37-39H,3-6,9,12,19-20H2,1 -2H3/p+1/b18-15+/t25-,28+ ,29+,30-,31-/m1/s1; XYRPYNRUMDVKEZ-ZUPFTECCSA-O |
CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H ]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C CCCCCCC(=O)O)C; CC1(C)c2ccccc2[N+](=C1C= Cc3ccc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH] 4O)cc3)CCCCCCCC(O)=O; CC1(C)c2ccccc2[N+] (=C1\C=C\c3ccc(O[C@@H]4O[C@H](CO)[C@H](O )[C@H](O)[C@H]4O)cc3)CCCCCCCC(O)=O; CC1( c2ccccc2[N+](=C1C=Cc3ccc(cc3)OC4C(C(C(C( O4)CO)O)O)O)CCCCCCCC(=O)O)C |
8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid |
| 20322 | F4Z CHEMBL3186214 ZINC000002033904 |
4 | C5 H2 Cl3 N O | InChI=1S/C5H2Cl3NO/c6-2-1 -3(7)5(10)9-4(2)8/h1H,(H, 9,10); WCYYAQFQZQEUEN-UHFFFAOYSA-N |
c1c(c(nc(c1Cl)Cl)O)Cl; Oc1nc(Cl)c(Cl)cc1 Cl |
3,5,6-trichloro-2-pyridinol |
| 20323 | F50 CHEMBL444965 DB14556 ZINC000038141555 |
8 | C2 H4 O3 | InChI=1S/C2H4O3/c1-2(3)5- 4/h4H,1H3; KFSLWBXXFJQRDL-UHFFFAOYSA-N |
CC(=O)OO; O=C(OO)C | ETHANEPEROXOIC ACID |
| 20324 | F51 CHEMBL4227722 |
1 | C22 H16 N2 O2 | InChI=1S/C22H16N2O2/c1-14 -20(22(25)26)18-11-12-23- 13-19(18)24-21(14)17-9-7- 16(8-10-17)15-5-3-2-4-6-1 5/h2-13H,1H3,(H,25,26); QTJZVPVLAFKPGP-UHFFFAOYSA-N |
n2cc1nc(c(C)c(c1cc2)C(O)=O)c3ccc(cc3)c4c cccc4; Cc1c(nc2cnccc2c1C(O)=O)c3ccc(cc3) c4ccccc4; Cc1c(c2ccncc2nc1c3ccc(cc3)c4cc ccc4)C(=O)O |
2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid |
| 20325 | F52 CHEMBL194458 ZINC000000056520 |
6 | C8 H5 Cl3 O3 | InChI=1S/C8H5Cl3O3/c9-4-1 -6(11)7(2-5(4)10)14-3-8(1 2)13/h1-2H,3H2,(H,12,13); SMYMJHWAQXWPDB-UHFFFAOYSA-N |
OC(=O)COc1cc(Cl)c(Cl)cc1Cl; c1c(c(cc(c1C l)Cl)Cl)OCC(=O)O |
2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid |
| 20326 | F53 CHEMBL4455178 ZINC000098208861 |
6 | C30 H42 N2 O8 S | InChI=1S/C30H42N2O8S/c1-3 -21(4-2)17-32(41(36,37)24 -12-10-23(19-33)11-13-24) 18-27(34)26(16-22-8-6-5-7 -9-22)31-30(35)40-28-20-3 9-29-25(28)14-15-38-29/h5 -13,21,25-29,33-34H,3-4,1 4-20H2,1-2H3,(H,31,35)/t2 5-,26-,27+,28-,29+/m0/s1; KOYHHSRUNXTXFB-WNJKUOTESA-N |
CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC( =O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O )c4ccc(cc4)CO; CCC(CC)CN(C[CH](O)[CH](Cc 1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S] (=O)(=O)c4ccc(CO)cc4; CCC(CC)CN(CC(C(Cc1 ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4 ccc(cc4)CO; O=S(=O)(c1ccc(cc1)CO)N(CC(CC )CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 ; CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC (=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(= O)c4ccc(CO)cc4 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate |
| 20327 | F54 CHEMBL4228971 |
2 | C23 H16 Cl F N2 O2 | InChI=1S/C23H16ClFN2O2/c1 -12-3-9-17(22(24)26-12)14 -4-6-15(7-5-14)21-13(2)20 (23(28)29)18-11-16(25)8-1 0-19(18)27-21/h3-11H,1-2H 3,(H,28,29); NPMKPVGSRBWMIO-UHFFFAOYSA-N |
Cc1ccc(c(Cl)n1)c2ccc(cc2)c3nc4ccc(F)cc4c (C(O)=O)c3C; Cc1ccc(c(n1)Cl)c2ccc(cc2)c3 c(c(c4cc(ccc4n3)F)C(=O)O)C; c2(c1ccc(C)n c1Cl)ccc(cc2)c4nc3ccc(F)cc3c(c4C)C(=O)O |
2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid |
| 20328 | F55 CHEMBL1232636 ZINC000038965467 |
1 | C14 H17 Cl N2 O7 | InChI=1S/C14H17ClN2O7/c15 -7-3-1-6(2-4-7)12(22)16-1 4(23)17-13-11(21)10(20)9( 19)8(5-18)24-13/h1-4,8-11 ,13,18-21H,5H2,(H2,16,17, 22,23)/t8-,9-,10+,11-,13- /m1/s1; YTUMHTAWGXUOIS-BZNQNGANSA-N |
c1cc(ccc1C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O )O)Cl; OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc (Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O; O=C(N C1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(Cl)cc2; c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]( [C@@H]([C@H](O2)CO)O)O)O)Cl; OC[CH]1O[CH ](NC(=O)NC(=O)c2ccc(Cl)cc2)[CH](O)[CH](O )[CH]1O |
N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine; N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine; N-{[(4-chlorophenyl)carbonyl]carbamoyl}-D-glucosylamine; N-{[(4-chlorophenyl)carbonyl]carbamoyl}-glucosylamine |
| 20329 | F56 CHEMBL4764586 |
3 | C15 H21 N O3 | InChI=1S/C15H21NO3/c1-4-5 -6-10(2)9-11(3)14(18)13-1 2(17)7-8-16-15(13)19/h4-5 ,7-8,10-11H,6,9H2,1-3H3,( H2,16,17,19)/b5-4+/t10-,1 1-/m0/s1; XOAZFUVQLCZQIQ-NNOMMRTBSA-N |
C\C=C\C[C@H](C)C[C@H](C)C(=O)C1=C(O)C=CN C1=O; C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C( C=CNC1=O)O; CC=CCC(C)CC(C)C(=O)C1=C(C=CN C1=O)O; CC=CC[CH](C)C[CH](C)C(=O)C1=C(O) C=CNC1=O |
3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one |
| 20330 | F57 | 2 | C31 H61 O8 P | InChI=1S/C31H61O8P/c1-3-5 -7-9-11-12-13-14-15-16-17 -18-20-22-24-26-31(33)39- 29(28-38-40(34,35)36)27-3 7-30(32)25-23-21-19-10-8- 6-4-2/h29H,3-28H2,1-2H3,( H2,34,35,36)/t29-/m1/s1; NEHFRILYYHJEFJ-GDLZYMKVSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)O)COC (=O)CCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC( COC(=O)CCCCCCCCC)COP(=O)(O)O; CCCCCCCCCC CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)CO[P ](O)(O)=O; CCCCCCCCCCCCCCCCCC(=O)O[C@H]( COC(=O)CCCCCCCCC)COP(=O)(O)O; CCCCCCCCCC CCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCC)CO[P] (O)(O)=O |
(2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate |
| 20331 | F58 ZINC000095920835 |
1 | C14 H24 N2 O7 | InChI=1S/C14H24N2O7/c17-6 -8-9(18)10(19)11(20)13(23 -8)16-14(22)15-12(21)7-4- 2-1-3-5-7/h7-11,13,17-20H ,1-6H2,(H2,15,16,21,22)/t 8-,9-,10+,11-,13-/m1/s1; CKZJXIPUYBZFJC-BZNQNGANSA-N |
C1CCC(CC1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O) O)O; C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]( [C@H]([C@@H]([C@H](O2)CO)O)O)O; OC[CH]1O [CH](NC(=O)NC(=O)C2CCCCC2)[CH](O)[CH](O) [CH]1O; O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C 2CCCCC2; OC[C@H]1O[C@@H](NC(=O)NC(=O)C2C CCCC2)[C@H](O)[C@@H](O)[C@@H]1O |
N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine; N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucosylamine; N-[(cyclohexylcarbonyl)carbamoyl]-D-glucosylamine; N-[(cyclohexylcarbonyl)carbamoyl]-glucosylamine |
| 20332 | F59 CHEMBL1232637 ZINC000016052455 |
1 | C20 H22 N2 O7 | InChI=1S/C20H22N2O7/c23-1 0-14-15(24)16(25)17(26)19 (29-14)22-20(28)21-18(27) 13-8-6-12(7-9-13)11-4-2-1 -3-5-11/h1-9,14-17,19,23- 26H,10H2,(H2,21,22,27,28) /t14-,15-,16+,17-,19-/m1/ s1; ZINVIKWRSBKXJV-OGJJZOIMSA-N |
c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)NC3C(C(C( C(O3)CO)O)O)O; c1ccc(cc1)c2ccc(cc2)C(=O) NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O 3)CO)O)O)O; O=C(NC1OC(C(O)C(O)C1O)CO)NC( =O)c3ccc(c2ccccc2)cc3; OC[CH]1O[CH](NC(= O)NC(=O)c2ccc(cc2)c3ccccc3)[CH](O)[CH](O )[CH]1O; OC[C@H]1O[C@@H](NC(=O)NC(=O)c2c cc(cc2)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]1 O |
N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| 20333 | F5A CHEMBL981 DB13873 ZINC000000001984 |
13 | C17 H15 Cl O4 | InChI=1S/C17H15ClO4/c1-17 (2,16(20)21)22-14-9-5-12( 6-10-14)15(19)11-3-7-13(1 8)8-4-11/h3-10H,1-2H3,(H, 20,21); MQOBSOSZFYZQOK-UHFFFAOYSA-N |
CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)C l; CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C( O)=O; C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc( cc2)Cl)=O |
2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid |
| 20334 | F5B ZINC000002022409 |
1 | C6 H F5 | InChI=1S/C6HF5/c7-2-1-3(8 )5(10)6(11)4(2)9/h1H; WACNXHCZHTVBJM-UHFFFAOYSA-N |
c1c(c(c(c(c1F)F)F)F)F; Fc1cc(F)c(F)c(F)c 1F |
1,2,3,4,5-pentafluorobenzene |
| 20335 | F5C ZINC000012342729 |
2 | C9 H3 F5 O2 | InChI=1S/C9H3F5O2/c10-5-3 (1-2-4(15)16)6(11)8(13)9( 14)7(5)12/h1-2H,(H,15,16) /b2-1+; IUUKDBLGVZISGW-OWOJBTEDSA-N |
C(=CC(=O)O)c1c(c(c(c(c1F)F)F)F)F; OC(=O) C=Cc1c(F)c(F)c(F)c(F)c1F; C(=C/C(=O)O)\c 1c(c(c(c(c1F)F)F)F)F; OC(=O)\C=C\c1c(F)c (F)c(F)c(F)c1F; [C@H](=Cc1c(F)c(F)c(c(c1 F)F)F)C(O)=O |
penta-fluorocinnamic acid |
| 20336 | F5D | 2 | C20 H32 N7 O15 P3 S | InChI=1S/C20H32N7O15P3S/c 21-17-14-18(23-7-22-17)27 (8-24-14)19-16(30)15(29)1 0(39-19)5-38-45(37,42-44( 35,36)41-43(32,33)34)40-1 2(28)4-2-1-3-11-13-9(6-46 -11)25-20(31)26-13/h7-11, 13,15-16,19-20,25-26,29-3 1H,1-6H2,(H,35,36)(H2,21, 22,23)(H2,32,33,34)/t9-,1 0+,11-,13?,15+,16+,19+,20 +,45-/m0/s1; KMVPKOZRCVFEFI-NSWRTZSASA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO[P@@](=O)(OC(=O)CCCCC4C5[C@H](C S4)N[C@H](N5)O)OP(=O)(O)OP(=O)(O)O)O)O)N ; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(O C(=O)CCCC[CH]4SC[CH]5N[CH](O)N[CH]45)O[P ](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O; Nc1n cnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](=O)(OC (=O)CCCC[C@@H]4SC[C@@H]5N[C@@H](O)N[C@H] 45)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H ]3O; c12c(N)ncnc1n(cn2)C5C(C(C(COP(=O)(O C(CCCCC3SCC4C3NC(N4)O)=O)OP(=O)(O)OP(=O) (O)O)O5)O)O; c1nc(c2c(n1)n(cn2)C3C(C(C(O 3)COP(=O)(OC(=O)CCCCC4C5C(CS4)NC(N5)O)OP (=O)(O)OP(=O)(O)O)O)O)N |
5'-O-[(S)-({5-[(2R,3aS,4S,6aR)-2-hydroxyhexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine |
| 20337 | F5E CHEMBL4240867 |
1 | C28 H40 N4 O2 S | InChI=1S/C28H40N4O2S/c1-2 1(2)19-24-11-14-27-26(20- 32(4)29-27)28(24)30-35(33 ,34)25-12-9-22(10-13-25)7 -5-6-8-23-15-17-31(3)18-1 6-23/h9-14,20-21,23,30H,5 -8,15-19H2,1-4H3; HAEBJCXYCZWIGA-UHFFFAOYSA-N |
CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCC C4CCN(CC4)C)cn(n2)C; CC(C)Cc1ccc2nn(C)cc 2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3 |
~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide |
| 20338 | F5F ZINC000473132466 |
2 | C15 H21 N O2 | InChI=1S/C15H21NO2/c1-4-1 1-8-9(2)7-10(3)13(11)14-1 2(17)5-6-16-15(14)18/h4-6 ,9-11,13H,1,7-8H2,2-3H3,( H2,16,17,18)/t9-,10+,11-, 13-/m1/s1; SWIJWROLKBJDFO-LSCVPOLPSA-N |
C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C (C=CNC2=O)O)C; CC1CC(C(C(C1)C=C)C2=C(C=C NC2=O)O)C; C[CH]1C[CH](C)[CH]([CH](C1)C= C)C2=C(O)C=CNC2=O; C[C@@H]1C[C@H](C)[C@H ]([C@@H](C1)C=C)C2=C(O)C=CNC2=O |
3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one |
| 20339 | F5G | 1 | C18 H28 N4 O16 P2 | InChI=1S/C18H28N4O16P2/c1 -7-11(19-6-23)14(27)12(20 -8(2)24)17(35-7)37-40(32, 33)38-39(30,31)34-5-9-13( 26)15(28)16(36-9)22-4-3-1 0(25)21-18(22)29/h3-4,6-7 ,9,11-17,26-28H,5H2,1-2H3 ,(H,19,23)(H,20,24)(H,30, 31)(H,32,33)(H,21,25,29)/ t7-,9+,11-,12+,13+,14-,15 +,16+,17+/m0/s1; MNNFOPXYMSSSNV-XQDVVILDSA-N |
CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C( C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O; C[C@@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC [C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O) NC3=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1NC=O; C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP( =O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@ H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O ; C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[C H]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[ CH](NC(C)=O)[CH](O)[CH]1NC=O; C(OP(OP(OC 1C(NC(=O)C)C(C(NC=O)C(C)O1)O)(=O)O)(O)=O )C3C(C(C(N2C(NC(C=C2)=O)=O)O3)O)O |
|
| 20340 | F5H ZINC000098208862 |
0 | C12 H18 F N2 O8 P | InChI=1S/C12H18FN2O8P/c1- 5-3-15(12(18)14-11(5)17)7 -4-22-10(9(16)8(7)13)6(2) 23-24(19,20)21/h3,6-10,16 H,4H2,1-2H3,(H,14,17,18)( H2,19,20,21)/t6-,7+,8-,9- ,10+/m0/s1; PKEVEDVMICJXCG-CVPUBMOQSA-N |
C[CH](O[P](O)(O)=O)[CH]1OC[CH]([CH](F)[C H]1O)N2C=C(C)C(=O)NC2=O; CC1=CN(C(=O)NC1 =O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@H] (C)OP(=O)(O)O; CC1=CN(C(=O)NC1=O)C2COC(C (C2F)O)C(C)OP(=O)(O)O; O=P(O)(O)OC(C2OCC (N1C(=O)NC(=O)C(=C1)C)C(F)C2O)C; C[C@H]( O[P](O)(O)=O)[C@H]1OC[C@H]([C@H](F)[C@@H ]1O)N2C=C(C)C(=O)NC2=O |
3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-O-phosphono-D-glycero-L-altro-heptitol |
| 20341 | F5I | 3 | C4 H12 O8 Rh2 | InChI=1S/2C2H4O2.4H2O.2Rh /c2*1-2(3)4;;;;;;/h2*2H,1 H3;4*1H2;;/q2*-2;;;;;2*+5 /p-4; CSLTZVJRVCYCAM-UHFFFAOYSA-J |
CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O; C[ C@@H]1O[Rh+](O)(O)O[C@H](C)O[Rh+](O)(O)O 1; C[CH]1O[Rh+](O)(O)O[CH](C)O[Rh+](O)(O )O1 |
cis-bis(mi2-acetato-O, O')-tetraaquo-dirhodium(II) |
| 20342 | F5J CHEMBL4168754 |
1 | C17 H18 N4 O4 | InChI=1S/C17H18N4O4/c18-1 5-10-6-7-21(16(10)20-8-19 -15)17-13(24)12(23)14(25- 17)11(22)9-4-2-1-3-5-9/h1 -8,11-14,17,22-24H,(H2,18 ,19,20)/t11-,12+,13-,14-, 17-/m1/s1; WWOOWAHTEXIWBO-QFRSUPTLSA-N |
c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H ](O2)n3ccc4c3ncnc4N)O)O)O; Nc1ncnc2n(ccc 12)[CH]3O[CH]([CH](O)[CH]3O)[CH](O)c4ccc cc4; c2cc1c(ncnc1n2C4C(C(O)C(C(c3ccccc3) O)O4)O)N; c1ccc(cc1)C(C2C(C(C(O2)n3ccc4c 3ncnc4N)O)O)O; Nc1ncnc2n(ccc12)[C@@H]3O[ C@@H]([C@@H](O)[C@H]3O)[C@H](O)c4ccccc4 |
7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| 20343 | F5L | 4 | C26 H44 N4 O9 S | InChI=1S/C26H44N4O9S/c1-1 5(2)11-19(22(32)28-20(24( 34)40(36,37)38)12-17-5-8- 27-21(17)31)29-25(35)39-1 8-13-26(14-18)6-9-30(10-7 -26)23(33)16(3)4/h15-20,2 4,34H,5-14H2,1-4H3,(H,27, 31)(H,28,32)(H,29,35)(H,3 6,37,38)/t17-,19-,20-,24+ /m0/s1; SQVQHYGKQGMSJR-TYZOXTDXSA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O) O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C; O= C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CC N(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O; CC(C )C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C 1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O) (=O)=O; CC(C)C[C@H](NC(=O)OC1CC2(CCN(CC2 )C(=O)C(C)C)C1)C(=O)N[C@@H](C[C@@H]3CCNC 3=O)[C@H](O)[S](O)(=O)=O; CC(C)C[C@@H](C (=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O )O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C |
(1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 20344 | F5M ZINC000022059358 |
1 | C24 H13 N O7 | InChI=1S/C24H13NO7/c26-13 -2-5-16-19(10-13)32-20-11 -14(27)3-6-17(20)23(16)15 -4-1-12(9-18(15)24(30)31) 25-21(28)7-8-22(25)29/h1- 11,26H,(H,30,31); HFBMFFXWMZRDIY-UHFFFAOYSA-N |
c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=C C(=O)C=C4Oc5c3ccc(c5)O; OC(=O)c1cc(ccc1C 2=C3C=CC(=O)C=C3Oc4cc(O)ccc24)N5C(=O)C=C C5=O; O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2 C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5 |
5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid; fluorescein-5-maleimide |
| 20345 | F5N CHEMBL1921973 ZINC000012535788 |
2 | C15 H13 N3 O | InChI=1S/C15H13N3O/c19-15 (17-12-6-2-1-3-7-12)10-13 -11-18-9-5-4-8-14(18)16-1 3/h1-9,11H,10H2,(H,17,19); NYOYOCWWJBDHMW-UHFFFAOYSA-N |
c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2; O=C(Cc1c n2ccccc2n1)Nc3ccccc3; O=C(Nc1ccccc1)Cc2n c3ccccn3c2 |
2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide |
| 20346 | F5O CHEMBL1208155 DB11979 ZINC000049888891 |
1 | C32 H30 F5 N3 O5 | InChI=1S/C32H30F5N3O5/c1- 19-28(21-11-6-14-26(45-2) 29(21)34)30(43)40(18-25(2 0-9-4-3-5-10-20)38-16-8-1 5-27(41)42)31(44)39(19)17 -22-23(32(35,36)37)12-7-1 3-24(22)33/h3-7,9-14,25,3 8H,8,15-18H2,1-2H3,(H,41, 42)/t25-/m0/s1; HEAUOKZIVMZVQL-VWLOTQADSA-N |
COc1cccc(c1F)C2=C(C)N(Cc3c(F)cccc3C(F)(F )F)C(=O)N(C[C@H](NCCCC(O)=O)c4ccccc4)C2= O; CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F)C(F)( F)F)C[C@@H](c3ccccc3)NCCCC(=O)O)c4cccc(c 4F)OC; COc1cccc(c1F)C2=C(C)N(Cc3c(F)cccc 3C(F)(F)F)C(=O)N(C[CH](NCCCC(O)=O)c4cccc c4)C2=O; CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F )C(F)(F)F)CC(c3ccccc3)NCCCC(=O)O)c4cccc( c4F)OC |
4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid |
| 20347 | F5P ZINC000087528557 |
1 | C17 H28 N4 O15 P2 | InChI=1S/C17H28N4O15P2/c1 -6-10(18)13(25)11(19-7(2) 22)16(33-6)35-38(30,31)36 -37(28,29)32-5-8-12(24)14 (26)15(34-8)21-4-3-9(23)2 0-17(21)27/h3-4,6,8,10-16 ,24-26H,5,18H2,1-2H3,(H,1 9,22)(H,28,29)(H,30,31)(H ,20,23,27)/t6-,8+,10-,11+ ,12+,13-,14+,15+,16+/m0/s 1; FUUMLYWEEZBCQR-NAGKVERXSA-N |
C[C@@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[ C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)N C3=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1N; C(O P(OP(OC1C(NC(C)=O)C(C(N)C(C)O1)O)(O)=O)( O)=O)C3C(C(C(N2C(NC(=O)C=C2)=O)O3)O)O; C C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C (O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N; C[C @H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)( O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O 2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N; C[CH] 1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH ]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](NC( C)=O)[CH](O)[CH]1N |
(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate; UDP-4-amino-4,6-dideoxy-L-AltNAc |
| 20348 | F5Q CHEMBL4237767 |
1 | C29 H38 N4 O2 S | InChI=1S/C29H38N4O2S/c1-3 2-21-16-24(17-22-32)8-3-2 -7-23-10-12-25(13-11-23)3 6(34,35)31-29-26-9-6-18-3 0-27(26)14-15-28(29)33-19 -4-5-20-33/h6,9-15,18,24, 31H,2-5,7-8,16-17,19-22H2 ,1H3; HRSWREJECUVHPS-UHFFFAOYSA-N |
CN1CCC(CCCCc2ccc(cc2)[S](=O)(=O)Nc3c(ccc 4ncccc34)N5CCCC5)CC1; CN1CCC(CC1)CCCCc2c cc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5 |
4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide |
| 20349 | F5R ZINC000001437890 |
3 | C7 H7 Br N2 | InChI=1S/C7H7BrN2/c8-6-3- 1-5(2-4-6)7(9)10/h1-4H,(H 3,9,10); JODFDXUBCBQKNC-UHFFFAOYSA-N |
NC(=N)c1ccc(Br)cc1; c1cc(ccc1C(=N)N)Br; [H]/N=C(\c1ccc(cc1)Br)/N |
4-bromanylbenzenecarboximidamide; 4-Bromobenzamidine |
| 20350 | F5S | 2 | C26 H27 N O7 | InChI=1S/C26H27NO7/c1-16- 11-24-23(34-24)6-4-3-5-19 (27-32-15-17-7-9-21(31-2) 10-8-17)12-18-13-20(28)14 -22(29)25(18)26(30)33-16/ h3-10,13-14,16,23-24,28-2 9H,11-12,15H2,1-2H3/b5-3+ ,6-4-,27-19-/t16-,23-,24- /m1/s1; PACPIEIVCXUTPG-XVFAOPLPSA-N |
C2/C(C=CC=CC1C(O1)CC(OC(c3c(O)cc(cc23)O) =O)C)=N\OCc4ccc(OC)cc4; CC1CC2C(O2)C=CC= CC(=NOCc3ccc(cc3)OC)Cc4cc(cc(c4C(=O)O1)O )O; COc1ccc(CO/N=C/2Cc3cc(O)cc(O)c3C(=O) O[C@H](C)C[C@H]4O[C@@H]4/C=C\C=C/2)cc1; C[C@@H]1C[C@@H]2C(O2)/C=C\C=C\C(=N\OCc3c cc(cc3)OC)\Cc4cc(cc(c4C(=O)O1)O)O; COc1c cc(CON=C2Cc3cc(O)cc(O)c3C(=O)O[CH](C)C[C H]4O[CH]4C=CC=C2)cc1 |
(1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one |
| 20351 | F5T | 3 | C6 H11 F3 O8 Rh2 | InChI=1S/C2HF3O2.2C2H4O2. 2H2O.2Rh/c3-2(4,5)1(6)7;2 *1-2(3)4;;;;/h1H;2*2H,1H3 ;2*1H2;;/q3*-2;;;2*+5/p-2; AAVQFBAKNWVTEL-UHFFFAOYSA-L |
CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F) F)O)C)O; C[CH]1O[Rh+]2(O)O[CH](C)O[Rh+]( O)(O1)O[CH](O2)C(F)(F)F; C[C@@H]1O[Rh+]2 (O)O[C@@H](C)O[Rh+](O)(O1)O[C@H](O2)C(F) (F)F |
cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, O')-diaquo-dirhodium (II) |
| 20352 | F5U CHEMBL8165 ZINC000000057163 |
5 | C11 H14 N2 O | InChI=1S/C11H14N2O/c1-14- 9-2-3-11-10(6-9)8(4-5-12) 7-13-11/h2-3,6-7,13H,4-5, 12H2,1H3; JTEJPPKMYBDEMY-UHFFFAOYSA-N |
COc1ccc2c(c1)c(c[nH]2)CCN; COc1ccc2[nH]c c(CCN)c2c1 |
2-(5-methoxy-1H-indol-3-yl)ethanamine; 5-Methoxytryptamine |
| 20353 | F5V CHEMBL4227902 |
2 | C21 H20 N4 O3 S | InChI=1S/C21H20N4O3S/c1-2 4-13-20(15-5-4-6-17(9-15) 23-29(3,27)28)19-10-14(7- 8-18(19)21(24)26)16-11-22 -25(2)12-16/h4-13,23H,1-3 H3; XUAJCFLNMSRSIO-UHFFFAOYSA-N |
Cn1cc(cn1)c2ccc3C(=O)N(C)C=C(c4cccc(N[S] (C)(=O)=O)c4)c3c2; Cn1cc(cn1)c2ccc3c(c2) C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C; Cn1c c(cn1)c3cc2C(=CN(C(c2cc3)=O)C)c4cc(ccc4) NS(=O)(C)=O |
N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide |
| 20354 | F5W | 3 | C14 H21 N2 | InChI=1S/C14H20N2/c1-2-9- 16-12-7-3-5-10(12)14(15)1 1-6-4-8-13(11)16/h15H,2-9 H2,1H3/p+1; AWNLVKPHFGNVQD-UHFFFAOYSA-O |
CCC[n+]1c2c(c(c3c1CCC3)N)CCC2; CCC[n+]1c 2CCCc2c(N)c3CCCc13 |
2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine; 2-Propyl-2-azoniatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-amine |
| 20355 | F5X CHEMBL337825 ZINC000000077360 |
2 | C11 H14 N2 O | InChI=1S/C11H14N2O/c1-14- 9-2-3-10-8(4-5-12)7-13-11 (10)6-9/h2-3,6-7,13H,4-5, 12H2,1H3; VOCGEKMEZOPDFP-UHFFFAOYSA-N |
COc1ccc2c(c1)[nH]cc2CCN; COc1ccc2c(CCN)c [nH]c2c1 |
2-(6-methoxy-1H-indol-3-yl)ethanamine; 6-Methoxytryptamine |
| 20356 | F5Y CHEMBL4225212 |
1 | C23 H23 N3 O4 S | InChI=1S/C23H23N3O4S/c1-5 -31(28,29)17-7-9-22(30-4) 20(11-17)21-14-25(2)23(27 )18-8-6-15(10-19(18)21)16 -12-24-26(3)13-16/h6-14H, 5H2,1-4H3; VFQXMHYHBXHDCR-UHFFFAOYSA-N |
CCS(=O)(=O)c1cc(c(cc1)OC)C2=CN(C)C(=O)c3 c2cc(cc3)c4cn(nc4)C; CC[S](=O)(=O)c1ccc( OC)c(c1)C2=CN(C)C(=O)c3ccc(cc23)c4cnn(C) c4; CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c 2cc(cc3)c4cnn(c4)C)C)OC |
4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one |
| 20357 | F5Z CHEMBL4246624 |
1 | C29 H39 N3 O2 S | InChI=1S/C29H39N3O2S/c1-2 2(2)21-25-12-15-28-27(9-6 -18-30-28)29(25)31-35(33, 34)26-13-10-23(11-14-26)7 -4-5-8-24-16-19-32(3)20-1 7-24/h6,9-15,18,22,24,31H ,4-5,7-8,16-17,19-21H2,1- 3H3; ZEJRJRISLHICJV-UHFFFAOYSA-N |
CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCC C4CCN(CC4)C)cccn2; CC(C)Cc1ccc2ncccc2c1N [S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3 |
4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide |
| 20358 | F60 CHEMBL2413822 ZINC000000153921 |
1 | C8 H7 N O | InChI=1S/C8H7NO/c10-7-2-1 -6-3-4-9-8(6)5-7/h1-5,9-1 0H; XAWPKHNOFIWWNZ-UHFFFAOYSA-N |
c1cc(cc2c1cc[nH]2)O; Oc1ccc2c(c1)ncc2; O c1ccc2cc[nH]c2c1 |
1H-indol-6-ol |
| 20359 | F61 CHEMBL3265155 ZINC000169346889 |
4 | C35 H69 N O9 | InChI=1S/C35H69NO9/c1-3-5 -7-9-11-13-14-15-16-17-19 -21-23-28(38)31(40)27(36- 30(39)24-22-20-18-12-10-8 -6-4-2)26-44-35-34(43)33( 42)32(41)29(25-37)45-35/h 27-29,31-35,37-38,40-43H, 3-26H2,1-2H3,(H,36,39)/t2 7-,28+,29+,31-,32-,33-,34 +,35-/m0/s1; XAGHGLSSJDVTMX-NOUVZJLJSA-N |
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H] 1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC (=O)CCCCCCCCCC)O)O; C(OC1C(C(C(C(O1)CO)O )O)O)C(NC(CCCCCCCCCC)=O)C(C(O)CCCCCCCCCC CCCC)O; CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C( O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O; CCCCCC CCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH]( CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCCCCCC ; CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H]( CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1 O)NC(=O)CCCCCCCCCC |
N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide |
| 20360 | F62 CHEMBL3633143 ZINC000205907067 |
1 | C29 H31 N7 O3 | InChI=1S/C29H31N7O3/c1-5- 26(37)31-20-7-6-8-22(16-2 0)36-27(38)15-19(2)23-18- 30-29(33-28(23)36)32-24-1 0-9-21(17-25(24)39-4)35-1 3-11-34(3)12-14-35/h5-10, 15-18H,1,11-14H2,2-4H3,(H ,31,37)(H,30,32,33); VJQPNQROUWVJQN-UHFFFAOYSA-N |
CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CC N(CC4)C)c5cccc(c5)NC(=O)C=C; COc1cc(ccc1 Nc2ncc3C(=CC(=O)N(c4cccc(NC(=O)C=C)c4)c3 n2)C)N5CCN(C)CC5 |
N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide |
| 20361 | F63 CHEMBL1921971 ZINC000004277396 |
5 | C11 H12 N2 O2 | InChI=1S/C11H12N2O2/c1-12 -7-10-4-5-11(15-10)14-9-3 -2-6-13-8-9/h2-6,8,12H,7H 2,1H3; MUKCVLFJCGZPKF-UHFFFAOYSA-N |
CNCc1ccc(o1)Oc2cccnc2; n2cc(Oc1oc(cc1)CN C)ccc2; CNCc1oc(Oc2cccnc2)cc1 |
N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine |
| 20362 | F64 | 1 | C24 H28 Cl N3 O7 S | InChI=1S/C24H28ClN3O7S/c1 -24(23(30)27-31,36(3,32)3 3)9-11-28-10-8-18(13-21(2 8)29)17-4-6-19(7-5-17)35- 15-16-12-20(25)22(34-2)26 -14-16/h4-8,12,14,31H,9-1 1,13,15H2,1-3H3,(H,27,30) /t24-/m0/s1; CDFIGPHKVBKXMP-DEOSSOPVSA-N |
C[C@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c( nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C; CC(CCN1CC =C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C (=O)NO)S(=O)(=O)C; COc1ncc(COc2ccc(cc2)C 3=CCN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O )C3)cc1Cl; COc1ncc(COc2ccc(cc2)C3=CCN(CC [C@@](C)(C(=O)NO)[S](C)(=O)=O)C(=O)C3)cc 1Cl; COc3ncc(COc2ccc(C1=CCN(C(C1)=O)CCC( C)(C(=O)NO)S(C)(=O)=O)cc2)cc3Cl |
(2S)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide |
| 20363 | F65 CHEMBL4251359 |
1 | C30 H43 N3 O4 S | InChI=1S/C30H43N3O4S/c1-3 2-21-17-25(18-22-32)10-6- 5-9-24-11-14-27(15-12-24) 38(35,36)31-28-23-26(30(3 4)37-2)13-16-29(28)33-19- 7-3-4-8-20-33/h11-16,23,2 5,31H,3-10,17-22H2,1-2H3; HLBWOHTYZSIRPE-UHFFFAOYSA-N |
CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc( ccc3N4CCCCCC4)C(=O)OC; COC(=O)c1ccc(N2CC CCCC2)c(N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC 4)cc3)c1 |
methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate |
| 20364 | F66 CHEMBL2358910 ZINC000000140764 |
10 | C11 H14 N2 | InChI=1S/C11H14N2/c1-8-9( 6-7-12)10-4-2-3-5-11(10)1 3-8/h2-5,13H,6-7,12H2,1H3; CPVSLHQIPGTMLH-UHFFFAOYSA-N |
Cc1c(c2ccccc2[nH]1)CCN; Cc1[nH]c2ccccc2c 1CCN |
2-(2-methyl-1H-indol-3-yl)ethanamine; 2-Methyltryptamine |
| 20365 | F67 | 1 | C13 H12 N4 O | InChI=1S/C13H12N4O/c1-8-1 1-6-9(2-3-10(11)13(18)16- 8)17-12-4-5-14-7-15-12/h2 -8H,1H3,(H,16,18)(H,14,15 ,17)/t8-/m1/s1; OWEDOBFUVPKBNA-MRVPVSSYSA-N |
C[C@@H]1c2cc(ccc2C(=O)N1)Nc3ccncn3; C[CH ]1NC(=O)c2ccc(Nc3ccncn3)cc12; O=C1c2c(C( N1)C)cc(cc2)Nc3ccncn3; C[C@H]1NC(=O)c2cc c(Nc3ccncn3)cc12; CC1c2cc(ccc2C(=O)N1)Nc 3ccncn3 |
(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one |
| 20366 | F68 CHEMBL564199 ZINC000016052454 |
1 | C15 H20 N2 O7 | InChI=1S/C15H20N2O7/c1-7- 2-4-8(5-3-7)13(22)16-15(2 3)17-14-12(21)11(20)10(19 )9(6-18)24-14/h2-5,9-12,1 4,18-21H,6H2,1H3,(H2,16,1 7,22,23)/t9-,10-,11+,12-, 14-/m1/s1; DUVVGYBLYHSFMV-YGEZULPYSA-N |
Cc1ccc(cc1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O )O)O; Cc1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H ]([C@H]([C@@H]([C@H](O2)CO)O)O)O; Cc1ccc (cc1)C(=O)NC(=O)N[C@@H]2O[C@H](CO)[C@@H] (O)[C@H](O)[C@H]2O; O=C(NC1OC(C(O)C(O)C1 O)CO)NC(=O)c2ccc(cc2)C; Cc1ccc(cc1)C(=O) NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2 O |
N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine |
| 20367 | F69 ZINC000004200679 |
1 | C11 H10 O S | InChI=1S/C11H10OS/c12-8-9 -4-1-2-5-10(9)11-6-3-7-13 -11/h1-7,12H,8H2; IUULMJAEIKVTKZ-UHFFFAOYSA-N |
c1ccc(c(c1)CO)c2cccs2; OCc1ccccc1c2sccc2 | (2-thiophen-2-ylphenyl)methanol |
| 20368 | F6A ZINC000064746657 |
8 | C20 H14 F3 N O | InChI=1S/C20H14F3NO/c21-2 0(22,23)18-12-5-4-11-17(1 8)19(25)24-16-10-6-9-15(1 3-16)14-7-2-1-3-8-14/h1-1 3H,(H,24,25); GASNDSAXXYXEMO-UHFFFAOYSA-N |
FC(F)(F)c1ccccc1C(=O)Nc2cccc(c2)c3ccccc3 ; c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F) (F)F |
N-biphenyl-3-yl-2-(trifluoromethyl)benzamide |
| 20369 | F6B DB03844 ZINC000003591119 |
2 | C14 H12 F2 N2 O3 S | InChI=1S/C14H12F2N2O3S/c1 5-12-2-1-3-13(16)11(12)8- 18-14(19)9-4-6-10(7-5-9)2 2(17,20)21/h1-7H,8H2,(H,1 8,19)(H2,17,20,21); ZFNCKGXGCCDDFN-UHFFFAOYSA-N |
c1cc(ccc1C(=O)NCc2c(cccc2F)F)S(N)(=O)=O; c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O )N)F; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2c(F )cccc2F |
N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE |
| 20370 | F6C | 122 | C55 H68 Mg N4 O6 | InChI=1S/C55H69N4O6.Mg/c1 -12-38-35(8)42-27-46-39(1 3-2)41(30-60)47(57-46)28- 43-36(9)40(52(58-43)50-51 (55(63)64-11)54(62)49-37( 10)44(59-53(49)50)29-45(3 8)56-42)23-24-48(61)65-26 -25-34(7)22-16-21-33(6)20 -15-19-32(5)18-14-17-31(3 )4;/h13,25,27-33,51H,2,12 ,14-24,26H2,1,3-11H3,(H-, 56,57,58,59,60,62);/q-1;+ 2/p-1/b34-25+,42-27-,43-2 8-,44-29-,45-29-,46-27-,4 7-28-,52-50-;/t32-,33-,51 -;/m1./s1; YUTLCKLMRUVWDE-FOFJUSMOSA-M |
CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8 =CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C =O)C=C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CC CC(C)C)C(=O)OC)C)C; C(CC(=O)OC\C=C(/C)CC CC(C)CCCC(C)CCCC(C)C)C=9C=3N4C(=CC8=N5C( =Cc6c(C)c(CC)c7C=C1N(=C2C=3C(C(=O)C2=C1C )C(=O)OC)[Mg]45n67)C(/C=C)=C8C=O)C=9C; C Cc1c(C)c2C=C3N=C(C=C4[N@@]5[Mg]n2c1C=C6N =C7C(=C5C(=C4C)CCC(=O)OC\C=C(/C)CCC[C@H] (C)CCC[C@H](C)CCCC(C)C)[C@@H](C(=O)OC)C( =O)C7=C6C)C(=C3C=C)C=O; CCc1c(C)c2C=C3N= C(C=C4[N]5[Mg]n2c1C=C6N=C7C(=C5C(=C4C)CC C(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C) C)[CH](C(=O)OC)C(=O)C7=C6C)C(=C3C=C)C=O; CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C (=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2) C(=C9C=O)C=C)C)CCC(=O)OC/C=C(\C)/CCC[C@H ](C)CCCC(C)CCCC(C)C)C(=O)OC)C)C |
Chlorophyll F; [methyl 9-ethenyl-14-ethyl-8-formyl-4,13,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
| 20371 | F6D CHEMBL4070151 |
2 | C24 H25 Cl N8 O | InChI=1S/C24H25ClN8O/c1-1 5-12-22(28-14-19(27)18-8- 3-4-9-21(18)34-2)33-24(29 -15)31-23(32-33)30-20(10- 11-26)16-6-5-7-17(25)13-1 6/h3-9,12-13,19-20,28H,10 ,14,27H2,1-2H3,(H,30,32)/ t19-,20-/m1/s1; TVYFBBBTUXLKKX-WOJBJXKFSA-N |
Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3 )Cl)NC[C@H](c4ccccc4OC)N; COc1ccccc1[C@H ](N)CNc2cc(C)nc3nc(N[C@H](CC#N)c4cccc(Cl )c4)nn23; Cc1cc(n2c(n1)nc(n2)NC(CC#N)c3c ccc(c3)Cl)NCC(c4ccccc4OC)N; COc1ccccc1[C H](N)CNc2cc(C)nc3nc(N[CH](CC#N)c4cccc(Cl )c4)nn23; c1(OC)ccccc1C(CNc2n4c(nc(C)c2) nc(NC(CC#N)c3cc(ccc3)Cl)n4)N |
(3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile |
| 20372 | F6E ZINC000585183616 |
1 | C25 H28 N4 O2 | InChI=1S/C25H28N4O2/c1-2- 12-28-13-14-29(25(31)23-1 6-26-18-27-23)17-22(24(28 )30)15-19-8-10-21(11-9-19 )20-6-4-3-5-7-20/h3-11,16 ,18,22H,2,12-15,17H2,1H3, (H,26,27)/t22-/m0/s1; NXIUWTFGGYLRTA-QFIPXVFZSA-N |
CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc 3)C(=O)c4c[nH]cn4; CCCN1CCN(C[C@H](Cc2cc c(cc2)c3ccccc3)C1=O)C(=O)c4c[nH]cn4; CCC N1CCN(C[CH](Cc2ccc(cc2)c3ccccc3)C1=O)C(= O)c4c[nH]cn4; CCCN1CCN(CC(C1=O)Cc2ccc(cc 2)c3ccccc3)C(=O)c4c[nH]cn4 |
(6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one |
| 20373 | F6F DB07745 ZINC000016051902 |
31 | C10 H11 F3 N O6 P | InChI=1S/C10H11F3NO6P/c11 -10(12,13)20-8-3-1-7(2-4- 8)9(15)14-5-6-19-21(16,17 )18/h1-4H,5-6H2,(H,14,15) (H2,16,17,18); YAHFSBJEYPSDPU-UHFFFAOYSA-N |
FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O; O [P](O)(=O)OCCNC(=O)c1ccc(OC(F)(F)F)cc1; c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F |
2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE; N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6 |
| 20374 | F6G | 12 | C8 H17 N4 O13 P3 | InChI=1S/C8H17N4O13P3/c9- 7-10-3-12(8(14)11-7)6-1-4 (13)5(23-6)2-22-27(18,19) 25-28(20,21)24-26(15,16)1 7/h4-6,13H,1-3H2,(H,18,19 )(H,20,21)(H2,15,16,17)(H 3,9,10,11,14)/t4-,5+,6+/m 0/s1; YEGZZVDXUFGWTE-KVQBGUIXSA-N |
C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP (=O)(O)OP(=O)(O)OP(=O)(O)O)O; NC1=NCN([C H]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O [P](O)(O)=O)O2)C(=O)N1; C1C(C(OC1N2CN=C( NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O; NC1=NCN([C@H]2C[C@H](O)[C@@H](CO[P](O)( =O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1; C 1(NC(N)=NCN1C2OC(C(C2)O)COP(O)(=O)OP(O)( OP(O)(O)=O)=O)=O |
6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one |
| 20375 | F6H ZINC000098208863 |
0 | C12 H18 F N2 O8 P | InChI=1S/C12H18FN2O8P/c1- 5-3-15(12(18)14-11(5)17)7 -4-22-10(9(16)8(7)13)6(2) 23-24(19,20)21/h3,6-10,16 H,4H2,1-2H3,(H,14,17,18)( H2,19,20,21)/t6-,7-,8+,9+ ,10-/m1/s1; PKEVEDVMICJXCG-FHNUBNKASA-N |
C[CH](O[P](O)(O)=O)[CH]1OC[CH]([CH](F)[C H]1O)N2C=C(C)C(=O)NC2=O; CC1=CN(C(=O)NC1 =O)C2COC(C(C2F)O)C(C)OP(=O)(O)O; O=P(O)( O)OC(C2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O) C; CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@ H]([C@H]2F)O)[C@@H](C)OP(=O)(O)O; C[C@@H ](O[P](O)(O)=O)[C@H]1OC[C@H]([C@H](F)[C@ @H]1O)N2C=C(C)C(=O)NC2=O |
3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-O-phosphono-D-glycero-L-allo-heptitol |
| 20376 | F6I ZINC000621478211 |
12 | C18 H15 F3 N6 O3 S | InChI=1S/C18H15F3N6O3S/c1 9-18(20,21)12-5-3-6-13(8- 12)31(29,30)27-9-11-4-1-2 -7-14(11)15(10-27)16(28)2 2-17-23-25-26-24-17/h1-8, 15H,9-10H2,(H2,22,23,24,2 5,26,28)/t15-/m1/s1; HRYBICGLAWEIFK-OAHLLOKOSA-N |
c1ccc2c(c1)CN(C[C@H]2C(=O)Nc3[nH]nnn3)S( =O)(=O)c4cccc(c4)C(F)(F)F; c1ccc2c(c1)CN (CC2C(=O)Nc3[nH]nnn3)S(=O)(=O)c4cccc(c4) C(F)(F)F; FC(F)(F)c1cccc(c1)[S](=O)(=O)N 2C[C@@H](C(=O)Nc3[nH]nnn3)c4ccccc4C2; O= C(Nc1nnn[NH]1)C1CN(Cc2ccccc12)S(=O)(=O)c 1cc(ccc1)C(F)(F)F; FC(F)(F)c1cccc(c1)[S] (=O)(=O)N2C[CH](C(=O)Nc3[nH]nnn3)c4ccccc 4C2 |
(4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 20377 | F6J CHEMBL564555 ZINC000043122465 |
2 | C24 H22 N2 O2 | InChI=1S/C24H22N2O2/c1-15 (2)10-18-11-17(8-9-20(18) 24(27)28)22-14-26-23-21(2 2)12-19(13-25-23)16-6-4-3 -5-7-16/h3-9,11-15H,10H2, 1-2H3,(H,25,26)(H,27,28); PGBYHFSGSTUFFN-UHFFFAOYSA-N |
CC(C)Cc1cc(ccc1C(O)=O)c2c[nH]c3ncc(cc23) c4ccccc4; CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c 3c2cc(cn3)c4ccccc4; CC(Cc1c(ccc(c1)c2cnc 3ncc(cc23)c4ccccc4)C(O)=O)C |
2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid |
| 20378 | F6K | 6 | C16 H24 Cl N O4 | InChI=1S/C16H24ClNO4/c1-1 5(22)12(8-5-9-17)14(21)18 -16(15,10-19)13(20)11-6-3 -2-4-7-11/h3,6,10-13,20,2 2H,2,4-5,7-9H2,1H3,(H,18, 21)/t11-,12+,13+,15+,16-/ m1/s1; XHBWODCKUDRKAV-VRUQUDLLSA-N |
CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCCCl)O ; C[C@]1(O)[C@@H](CCCCl)C(=O)N[C@]1(C=O) [C@@H](O)[C@H]2CCCC=C2; C[C@@]1([C@H](C( =O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCC l)O; C[C]1(O)[CH](CCCCl)C(=O)N[C]1(C=O)[ CH](O)[CH]2CCCC=C2 |
Homosalinosporamide A - bound form |
| 20379 | F6L | 4 | C32 H34 N O8 | InChI=1S/C32H33NO8/c1-32( 2)23-5-3-4-6-24(23)33(17- 20-7-12-21(13-8-20)30(38) 39)26(32)16-11-19-9-14-22 (15-10-19)40-31-29(37)28( 36)27(35)25(18-34)41-31/h 3-16,25,27-29,31,34-37H,1 7-18H2,1-2H3/p+1/b16-11+/ t25-,27+,28+,29-,31-/m1/s 1; ZRXNUVMWWIBYNP-BARJCIPKSA-O |
CC1(c2ccccc2[N+](=C1C=Cc3ccc(cc3)OC4C(C( C(C(O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C; CC1 (C)c2ccccc2[N+](=C1\C=C\c3ccc(O[C@@H]4O[ C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)Cc5c cc(cc5)C(O)=O; CC1(c2ccccc2[N+](=C1/C=C/ c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H ](O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C; CC1(C )c2ccccc2[N+](=C1C=Cc3ccc(O[CH]4O[CH](CO )[CH](O)[CH](O)[CH]4O)cc3)Cc5ccc(cc5)C(O )=O |
4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid |
| 20380 | F6M CHEMBL4650283 DB16050 |
1 | C29 H38 N8 O2 | InChI=1S/C29H38N8O2/c1-6- 17-31-27-24(21-33-29(35-2 7)34-25-15-13-23(20-30)14 -16-25)11-8-7-9-18-32-28( 39)22(2)37(5)26(38)12-10- 19-36(3)4/h10,12-16,21-22 H,6-7,9,17-19H2,1-5H3,(H, 32,39)(H2,31,33,34,35)/b1 2-10+/t22-/m0/s1; HJFSVYUFOXAVAA-YUAYGMJFSA-N |
CCCNc1nc(Nc2ccc(cc2)C#N)ncc1C#CCCCNC(=O) [C@H](C)N(C)C(=O)\C=C\CN(C)C; CCCNc1nc(N c2ccc(cc2)C#N)ncc1C#CCCCNC(=O)[CH](C)N(C )C(=O)C=CCN(C)C; CCCNc1c(cnc(n1)Nc2ccc(c c2)C#N)C#CCCCNC(=O)C(C)N(C)C(=O)C=CCN(C) C; CCCNc1c(cnc(n1)Nc2ccc(cc2)C#N)C#CCCCN C(=O)[C@H](C)N(C)C(=O)C=CCN(C)C |
N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide |
| 20381 | F6N | 0 | C5 H6 N2 O3 | InChI=1S/C5H6N2O3/c6-1-4- 7-3(2-10-4)5(8)9/h2H,1,6H 2,(H,8,9); LUKSXHYAGIRPPQ-UHFFFAOYSA-N |
NCc1occ(n1)C(O)=O; c1c(nc(o1)CN)C(=O)O | 2-(aminomethyl)-1,3-oxazole-4-carboxylic acid |
| 20382 | F6O CHEMBL3545360 DB12729 ZINC000068120928 |
2 | C29 H40 N8 O3 S | InChI=1S/C29H40N8O3S/c1-2 1(2)41(38,39)27-8-6-5-7-2 5(27)33-29-31-20-30-28(34 -29)32-24-10-9-23(19-26(2 4)40-4)36-13-11-22(12-14- 36)37-17-15-35(3)16-18-37 /h5-10,19-22H,11-18H2,1-4 H3,(H2,30,31,32,33,34); MGGBYMDAPCCKCT-UHFFFAOYSA-N |
COc1cc(ccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C (C)C)n2)N4CCC(CC4)N5CCN(C)CC5; CC(C)S(=O )(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4C CC(CC4)N5CCN(CC5)C |
N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine |
| 20383 | F6P CHEMBL604196 ZINC000004096690 |
240 | C6 H13 O9 P | InChI=1S/C6H13O9P/c7-2-6( 10)5(9)4(8)3(15-6)1-14-16 (11,12)13/h3-5,7-10H,1-2H 2,(H2,11,12,13)/t3-,4-,5+ ,6-/m1/s1; BGWGXPAPYGQALX-ARQDHWQXSA-N |
O=P(O)(O)OCC1OC(O)(CO)C(O)C1O; C(C1C(C(C (O1)(CO)O)O)O)OP(=O)(O)O; C([C@@H]1[C@H] ([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O; OC [C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O ; OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H] (O)[C@@H]1O |
6-O-phosphono-beta-D-fructofuranose; FRUCTOSE-6-PHOSPHATE; 6-O-phosphono-beta-D-fructose; 6-O-phosphono-D-fructose; 6-O-phosphono-fructose |
| 20384 | F6Q | 5 | C15 H15 Cl2 N3 O3 Pd S | InChI=1S/C15H15N3O3S.2ClH .Pd/c19-22(20,21)11-5-10- 18-14-8-2-1-6-12(14)17-15 (18)13-7-3-4-9-16-13;;;/h 1-4,6-9H,5,10-11H2,(H,19, 20,21);2*1H;/q;;;+4/p-2; DTXSGQZIKSCPLR-UHFFFAOYSA-L |
O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n +]4[Pd]3(Cl)Cl; c1ccc2c(c1)n(c-3[n+]2[Pd ]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O |
N,N-pyridylbenzimidazole derivative-Pd complex |
| 20385 | F6R DB04493 ZINC000085994845 |
72 | C6 H13 O9 P | InChI=1S/C6H13O9P/c7-1-3( 8)5(10)6(11)4(9)2-15-16(1 2,13)14/h4-7,9-11H,1-2H2, (H2,12,13,14)/t4-,5-,6-/m 1/s1; GSXOAOHZAIYLCY-HSUXUTPPSA-N |
OCC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)= O; C(C(C(C(C(=O)CO)O)O)O)OP(=O)(O)O; C(C (C(C(C(COP(O)(O)=O)O)O)O)=O)O; C([C@H]([ C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O; OC C(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O )=O |
FRUCTOSE -6-PHOSPHATE |
| 20386 | F6T | 3 | C18 H17 F2 N3 O2 | InChI=1S/C18H17F2N3O2/c1- 10(17-12(19)3-2-4-13(17)2 0)7-16(24)21-9-11-5-6-14- 15(8-11)23-18(25)22-14/h2 -6,8,10H,7,9H2,1H3,(H,21, 24)(H2,22,23,25)/t10-/m0/ s1; VDLFVZUKOKPJRH-JTQLQIEISA-N |
C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c( cccc3F)F; C[C@@H](CC(=O)NCc1ccc2NC(=O)Nc 2c1)c3c(F)cccc3F; C[CH](CC(=O)NCc1ccc2NC (=O)Nc2c1)c3c(F)cccc3F; CC(CC(=O)NCc1ccc 2c(c1)NC(=O)N2)c3c(cccc3F)F |
(3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide |
| 20387 | F6U | 0 | C11 H17 N6 O6 P | InChI=1S/C11H17N6O6P/c1-6 (23-24(20,21)22)7(3-18)16 -8(19)2-17-5-15-9-10(12)1 3-4-14-11(9)17/h4-7,18H,2 -3H2,1H3,(H,16,19)(H2,12, 13,14)(H2,20,21,22)/t6-,7 -/m1/s1; USXONNDLXUHCOD-RNFRBKRXSA-N |
C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)Cn1 cnc2c(N)ncnc12; C[C@H]([C@@H](CO)NC(=O)C n1cnc2c1ncnc2N)OP(=O)(O)O; C[CH](O[P](O) (O)=O)[CH](CO)NC(=O)Cn1cnc2c(N)ncnc12; C C(C(CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O |
[(2R,3R)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate |
| 20388 | F6W CHEMBL2333401 ZINC000095590921 |
1 | C14 H15 N O2 S2 | InChI=1S/C14H15NO2S2/c15- 19(16,17)14-8-6-13(7-9-14 )18-11-10-12-4-2-1-3-5-12 /h1-9H,10-11H2,(H2,15,16, 17); BIDLYFNXVUUEMA-UHFFFAOYSA-N |
c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N; N[S]( =O)(=O)c1ccc(SCCc2ccccc2)cc1 |
4-(2-phenylethylsulfanyl)benzenesulfonamide |
| 20389 | F6X | 0 | C10 H17 N4 O7 P | InChI=1S/C10H17N4O7P/c1-6 (21-22(18,19)20)7(5-15)12 -9(16)4-14-3-2-8(11)13-10 (14)17/h2-3,6-7,15H,4-5H2 ,1H3,(H,12,16)(H2,11,13,1 7)(H2,18,19,20)/t6-,7-/m1 /s1; BNPHLZWYYOHAKE-RNFRBKRXSA-N |
CC(C(CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O) O; C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)CN1C =CC(=NC1=O)N; C[C@H]([C@@H](CO)NC(=O)CN1 C=CC(=NC1=O)N)OP(=O)(O)O; C[C@@H](O[P](O )(O)=O)[C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N |
[(2R,3R)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate |
| 20390 | F6Y CHEMBL1614944 ZINC000004534389 |
1 | C21 H12 O7 | InChI=1S/C21H12O7/c22-11- 2-5-14-17(8-11)27-18-9-12 (23)3-6-15(18)21(14)16-7- 10(19(24)25)1-4-13(16)20( 26)28-21/h1-9,22-23H,(H,2 4,25); BZTDTCNHAFUJOG-UHFFFAOYSA-N |
OC(=O)c1ccc2C(=O)O[C@]3(c4ccc(O)cc4Oc5cc (O)ccc35)c2c1; c1cc2c(cc1C(=O)O)C3(c4ccc (cc4Oc5c3ccc(c5)O)O)OC2=O; OC(=O)c1ccc2C (=O)O[C]3(c4ccc(O)cc4Oc5cc(O)ccc35)c2c1; O=C(O)c5cc1c(C(=O)OC13c4ccc(O)cc4Oc2cc( O)ccc23)cc5 |
3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXYLIC ACID |
| 20391 | F6Z ZINC000004521303 |
1 | C21 H12 O7 | InChI=1S/C21H12O7/c22-11- 2-5-15-17(8-11)27-18-9-12 (23)3-6-16(18)21(15)14-4- 1-10(19(24)25)7-13(14)20( 26)28-21/h1-9,22-23H,(H,2 4,25); NJYVEMPWNAYQQN-UHFFFAOYSA-N |
O=C(O)c1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3 cc(O)ccc34; c1cc2c(cc1C(=O)O)C(=O)OC23c4 ccc(cc4Oc5c3ccc(c5)O)O; OC(=O)c1ccc2c(c1 )C(=O)O[C]23c4ccc(O)cc4Oc5cc(O)ccc35; OC (=O)c1ccc2c(c1)C(=O)O[C@@]23c4ccc(O)cc4O c5cc(O)ccc35 |
3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID |
| 20392 | F70 CHEMBL2431803 ZINC000003138108 |
2 | C18 H11 N O4 | InChI=1S/C18H11NO4/c19-9- 10-22-18(21)13-7-5-12(6-8 -13)17-11-15(20)14-3-1-2- 4-16(14)23-17/h1-8,11H,10 H2; VHZDBQAQWIEXCK-UHFFFAOYSA-N |
O=C(OCC#N)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 ; c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O) OCC#N; O=C(OCC#N)c1ccc(cc1)C2=CC(=O)c3cc ccc3O2 |
cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate |
| 20393 | F71 ZINC000096174940 |
2 | C29 H33 N3 O6 S2 | InChI=1S/C29H33N3O6S2/c1- 3-20(2)18-32(40(36,37)28- 13-12-27(39-28)26-14-15-3 0-38-26)19-25(34)24(16-21 -8-5-4-6-9-21)31-29(35)22 -10-7-11-23(33)17-22/h4-1 5,17,20,24-25,33-34H,3,16 ,18-19H2,1-2H3,(H,31,35)/ t20-,24-,25+/m0/s1; NZSGTDKPVPLULN-KSNOWIBYSA-N |
CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N C(=O)c2cccc(O)c2)[S](=O)(=O)c3sc(cc3)c4o ncc4; CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cc cc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4; CC[ C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC( =O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccn o4; O=S(=O)(c2sc(c1oncc1)cc2)N(CC(C)CC)C C(O)C(NC(=O)c3cccc(O)c3)Cc4ccccc4; CC[CH ](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)c2cc cc(O)c2)[S](=O)(=O)c3sc(cc3)c4oncc4 |
3-hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide |
| 20394 | F72 ZINC000096174938 |
2 | C31 H35 N3 O5 S2 | InChI=1S/C31H35N3O5S2/c35 -25-13-7-12-24(17-25)31(3 7)33-28(16-22-8-3-1-4-9-2 2)29(36)20-34(19-23-10-5- 2-6-11-23)41(38,39)26-14- 15-27-30(18-26)40-21-32-2 7/h1,3-4,7-9,12-15,17-18, 21,23,28-29,35-36H,2,5-6, 10-11,16,19-20H2,(H,33,37 )/t28-,29+/m0/s1; ZALSSBYFYBCJII-URLMMPGGSA-N |
c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2 )S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc (c5)O; O[C@H](CN(CC1CCCCC1)[S](=O)(=O)c2 ccc3ncsc3c2)[C@H](Cc4ccccc4)NC(=O)c5cccc (O)c5; O[CH](CN(CC1CCCCC1)[S](=O)(=O)c2c cc3ncsc3c2)[CH](Cc4ccccc4)NC(=O)c5cccc(O )c5; c1ccc(cc1)CC(C(CN(CC2CCCCC2)S(=O)(= O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O; O =C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC3CC CCC3)S(=O)(=O)c4ccc5ncsc5c4 |
N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide |
| 20395 | F73 | 0 | C11 H17 N6 O7 P | InChI=1S/C11H17N6O7P/c1-5 (24-25(21,22)23)6(3-18)14 -7(19)2-17-4-13-8-9(17)15 -11(12)16-10(8)20/h4-6,18 H,2-3H2,1H3,(H,14,19)(H2, 21,22,23)(H3,12,15,16,20) /t5-,6-/m1/s1; WFAAGLMOJNVWOI-PHDIDXHHSA-N |
C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2= O)N)OP(=O)(O)O; CC(C(CO)NC(=O)Cn1cnc2c1N =C(NC2=O)N)OP(=O)(O)O; C[CH](O[P](O)(O)= O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N; C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)Cn1 cnc2C(=O)NC(=Nc12)N |
[(2R,3R)-3-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate |
| 20396 | F74 | 0 | C10 H13 Cl N5 O7 P | InChI=1S/C10H13ClN5O7P/c1 1-9-13-6-7(14-10(12)15-8( 6)18)16(9)5-1-3(17)4(23-5 )2-22-24(19,20)21/h3-5,17 H,1-2H2,(H2,19,20,21)(H3, 12,14,15,18)/t3-,4+,5+/m0 /s1; GZEVWLMEFXMNBR-VPENINKCSA-N |
C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Cl)C(=O)N =C(N3)N)COP(=O)(O)O)O; C1C(C(OC1n2c3c(nc 2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O; C1(=O)c 2c(NC(=N1)N)n(c(n2)Cl)C3CC(C(COP(O)(O)=O )O3)O; NC1=NC(=O)c2nc(Cl)n([CH]3C[CH](O) [CH](CO[P](O)(O)=O)O3)c2N1; NC1=NC(=O)c2 nc(Cl)n([C@H]3C[C@H](O)[C@@H](CO[P](O)(O )=O)O3)c2N1 |
8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate) |
| 20397 | F75 ZINC000001727106 |
0 | C5 H6 N2 O2 S | InChI=1S/C5H6N2O2S/c6-1-4 -7-3(2-10-4)5(8)9/h2H,1,6 H2,(H,8,9); DOIRUXCDSGNCMX-UHFFFAOYSA-N |
NCc1scc(n1)C(O)=O; c1c(nc(s1)CN)C(=O)O | 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid |
| 20398 | F76 ZINC000009631042 |
1 | C23 H23 N3 O5 S | InChI=1S/C23H23N3O5S/c24- 32(29,30)16-12-10-15(11-1 3-16)25-21(27)14-31-23(28 )22-17-6-2-1-3-8-19(17)26 -20-9-5-4-7-18(20)22/h4-5 ,7,9-13H,1-3,6,8,14H2,(H, 25,27)(H2,24,29,30); CZNAHALNBRNZRG-UHFFFAOYSA-N |
O=S(=O)(N)c1ccc(cc1)NC(=O)COC(=O)c2c4c(n c3ccccc23)CCCCC4; c1ccc2c(c1)c(c3c(n2)CC CCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N; N[S](=O)(=O)c1ccc(NC(=O)COC(=O)c2c3CCCCC c3nc4ccccc24)cc1 |
2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate |
| 20399 | F77 CHEMBL230172 DB07746 ZINC000014965037 |
1 | C16 H16 F N O4 S | InChI=1S/C16H16FNO4S/c1-3 -11-4-9-14(15(10(11)2)16( 19)20)18-23(21,22)13-7-5- 12(17)6-8-13/h4-9,18H,3H2 ,1-2H3,(H,19,20); MGUQWAOYPINSIT-UHFFFAOYSA-N |
CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2 )F; CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C( O)=O)c1C; O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC )c2ccc(F)cc2 |
3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID; 3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID |
| 20400 | F78 ZINC000096174943 |
2 | C33 H36 N2 O6 S | InChI=1S/C33H36N2O6S/c1-4 1-29-17-19-30(20-18-29)42 (39,40)35(21-9-14-25-10-4 -2-5-11-25)24-32(37)31(22 -26-12-6-3-7-13-26)34-33( 38)27-15-8-16-28(36)23-27 /h2-8,10-13,15-20,23,31-3 2,36-37H,9,14,21-22,24H2, 1H3,(H,34,38)/t31-,32+/m0 /s1; SBQRBWXDIRCEEU-AJQTZOPKSA-N |
COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C [C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O) O; O=S(=O)(N(CCCc1ccccc1)CC(O)C(NC(=O)c2 cccc(O)c2)Cc3ccccc3)c4ccc(OC)cc4; COc1cc c(cc1)S(=O)(=O)N(CCCc2ccccc2)CC(C(Cc3ccc cc3)NC(=O)c4cccc(c4)O)O; COc1ccc(cc1)[S] (=O)(=O)N(CCCc2ccccc2)C[C@@H](O)[C@H](Cc 3ccccc3)NC(=O)c4cccc(O)c4; COc1ccc(cc1)[ S](=O)(=O)N(CCCc2ccccc2)C[CH](O)[CH](Cc3 ccccc3)NC(=O)c4cccc(O)c4 |
3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide |