| FY4 | Name: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate | Formula: | C21 H13 Br2 Cl N2 O5 | SMILES: | c1(c(Br)cc(cc1CNC(c2ccccc2[N+](=O)[O-])=O)Br)OC(c3ccc(Cl)cc3)=O | InChi: | InChI=1S/C21H13Br2ClN2O5/c22-14-9-13(11-25-20(27)16-3-1-2-4-18(16)26(29)30)19(17(23)10-14)31-21(28)12-5-7-15(24)8-6-12/h1-10H,11H2,(H,25,27) | Definition date: | 2018-04-23 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate |
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| FY7 | Name: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate | Formula: | C22 H13 Br2 N3 O5 | SMILES: | c1cc(c(cc1)C#N)C(=O)Oc2c(cc(cc2CNC(c3c(cccc3)[N+](=O)[O-])=O)Br)Br | InChi: | InChI=1S/C22H13Br2N3O5/c23-15-9-14(12-26-21(28)17-7-3-4-8-19(17)27(30)31)20(18(24)10-15)32-22(29)16-6-2-1-5-13(16)11-25/h1-10H,12H2,(H,26,28) | Definition date: | 2018-04-23 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate |
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| FYD | Name: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate | Formula: | C22 H16 Br2 N2 O6 | SMILES: | C(c1ccccc1OC)(Oc3c(CNC(=O)c2ccccc2[N+]([O-])=O)cc(cc3Br)Br)=O | InChi: | InChI=1S/C22H16Br2N2O6/c1-31-19-9-5-3-7-16(19)22(28)32-20-13(10-14(23)11-17(20)24)12-25-21(27)15-6-2-4-8-18(15)26(29)30/h2-11H,12H2,1H3,(H,25,27) | Definition date: | 2018-04-23 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate |
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| 8KX | Name: | 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide | Formula: | C21 H12 F3 N O6 S | SMILES: | Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](=O)(=O)Nc4ccc(cc4)C(F)(F)F | InChi: | InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H | Definition date: | 2017-07-27 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide |
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| 8L3 | Name: | 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine | Formula: | C18 H20 Cl2 N2 O | SMILES: | Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl | InChi: | InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2 | Definition date: | 2017-07-27 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine |
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| 8LF | Name: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide | Formula: | C21 H15 N O6 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O | InChi: | InChI=1S/C21H15NO6S/c1-11-6-8-12(9-7-11)29(27,28)22-16-10-15-17(21(26)20(16)25)19(24)14-5-3-2-4-13(14)18(15)23/h2-10,22,25-26H,1H3 | Definition date: | 2017-07-31 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide |
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| 8N3 | Name: | (2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide | Formula: | C15 H23 N3 O3 | SMILES: | CC(C)C[CH](NC(=O)NCc1cccc(C)c1)C(=O)NO | InChi: | InChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1 | Definition date: | 2017-08-07 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | (2~{R})-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-~{N}-oxidanyl-pentanamide |
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| 8QO | Name: | 5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol | Formula: | C11 H14 N2 O2 | SMILES: | COc1ccc(c(O)c1)C2=NC[CH](C)N2 | InChi: | InChI=1S/C11H14N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,13)/t7-/m1/s1 | Definition date: | 2017-08-25 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 5-methoxy-2-[(5~{R})-5-methyl-4,5-dihydro-1~{H}-imidazol-2-yl]phenol |
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| EZK | Name: | [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium | Formula: | C19 H22 Cl N7 O | SMILES: | Clc1cc(NC(=O)c2ccc(cc2)[NH+]=C3NCCN3)ccc1[NH+]=C4NCCN4 | InChi: | InChI=1S/C19H20ClN7O/c20-15-11-14(5-6-16(15)27-19-23-9-10-24-19)25-17(28)12-1-3-13(4-2-12)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27)/p+2 | Definition date: | 2018-05-10 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium |
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| F7B | Name: | 6-chloranyl-2,3-dihydrothiochromen-4-one | Formula: | C9 H7 Cl O S | SMILES: | Clc1ccc2SCCC(=O)c2c1 | InChi: | InChI=1S/C9H7ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2 | Definition date: | 2018-06-06 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 6-chloranyl-2,3-dihydrothiochromen-4-one |
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| EKJ | Name: | 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium | Formula: | C23 H25 N3 O2 S | SMILES: | c4(Cc1cc[n+](C)c2ccccc12)[n+](CC(NCCOC)=O)c3c(cccc3)s4 | InChi: | InChI=1S/C23H24N3O2S/c1-25-13-11-17(18-7-3-4-8-19(18)25)15-23-26(16-22(27)24-12-14-28-2)20-9-5-6-10-21(20)29-23/h3-11,13H,12,14-16H2,1-2H3/q+1/p+1 | Definition date: | 2018-01-18 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium |
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| EKM | Name: | 1-methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium | Formula: | C21 H20 N2 S | SMILES: | C[n+]4ccc([C@H]=[C@H]Cc2sc1ccccc1[n+]2C)c3c4cccc3 | InChi: | InChI=1S/C21H20N2S/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-12,14-15H,13H2,1-2H3/q+2/b8-7+ | Definition date: | 2018-01-18 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 1-methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium |
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| EOK | Name: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide | Formula: | C13 H15 N3 O2 S | SMILES: | CC(=O)N=C1NN(C(C)=O)[C](C)(S1)c2ccccc2 | InChi: | InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1 | Definition date: | 2018-04-04 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide |
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| EVV | Name: | N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid | Formula: | C30 H40 N4 O11 | SMILES: | C(C(CC)N(O)C=O)(CCCCC)C(NCNC(=O)c1ccc(o1)c2ccc(C(=O)NC(C(O)=O)CC(=O)O)c(c2)OCC)=O | InChi: | InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1 | Definition date: | 2018-02-05 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid |
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| FEW | Name: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide | Formula: | C31 H31 F3 N6 O | SMILES: | CC(C)c1ccc(cc1C#Cc2cnc3cnccn23)C(=O)Nc4cc(CN5CCN(C)CC5)cc(c4)C(F)(F)F | InChi: | InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41) | Definition date: | 2018-06-25 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide |
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| FH1 | Name: | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide | Formula: | C37 H50 N6 O9 S | SMILES: | C3(CC(Oc2c(nc1ccc(cc1n2)OC)C)CN3C(=O)C(C(C)(C)C)NC(OC4CCCC4)=O)C(NC5(C(/C=C)C5)C(=O)NS(C6(CC6)C)(=O)=O)=O | InChi: | InChI=1S/C37H50N6O9S/c1-8-22-19-37(22,33(46)42-53(48,49)36(6)15-16-36)41-30(44)28-18-25(51-31-21(2)38-26-14-13-24(50-7)17-27(26)39-31)20-43(28)32(45)29(35(3,4)5)40-34(47)52-23-11-9-10-12-23/h8,13-14,17,22-23,25,28-29H,1,9-12,15-16,18-20H2,2-7H3,(H,40,47)(H,41,44)(H,42,46)/t22-,25-,28+,29-,37-/m1/s1 | Definition date: | 2018-03-30 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide |
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| FH4 | Name: | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide | Formula: | C39 H54 N6 O9 S | SMILES: | C5(C(NC1(C(/C=C)C1)C(=O)NS(C2(CC2)C)(=O)=O)=O)CC(Oc4c(nc3ccc(cc3n4)OC)C(C)C)CN5C(=O)C(C(C)(C)C)NC(OC6CCCC6)=O | InChi: | InChI=1S/C39H54N6O9S/c1-9-23-20-39(23,35(48)44-55(50,51)38(7)16-17-38)43-32(46)29-19-26(53-33-30(22(2)3)40-27-15-14-25(52-8)18-28(27)41-33)21-45(29)34(47)31(37(4,5)6)42-36(49)54-24-12-10-11-13-24/h9,14-15,18,22-24,26,29,31H,1,10-13,16-17,19-21H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t23-,26-,29+,31-,39-/m1/s1 | Definition date: | 2018-03-30 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide |
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| FHD | Name: | 3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide | Formula: | C36 H49 Cl N6 O9 S | SMILES: | C1(CC(CN1C(C(C(C)(C)C)NC(=O)OCCCCC)=O)Oc3c(nc2ccc(cc2n3)OC)Cl)C(NC4(C(/C=C)C4)C(NS(C5(CC5)C)(=O)=O)=O)=O | InChi: | InChI=1S/C36H49ClN6O9S/c1-8-10-11-16-51-33(47)40-27(34(3,4)5)31(45)43-20-23(52-30-28(37)38-24-13-12-22(50-7)17-25(24)39-30)18-26(43)29(44)41-36(19-21(36)9-2)32(46)42-53(48,49)35(6)14-15-35/h9,12-13,17,21,23,26-27H,2,8,10-11,14-16,18-20H2,1,3-7H3,(H,40,47)(H,41,44)(H,42,46)/t21-,23-,26+,27-,36-/m1/s1 | Definition date: | 2018-03-30 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide |
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| FLK | Name: | 3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide | Formula: | C6 H12 Cl N4 O | SMILES: | ClCCC(=O)NNC1=[NH+]CCN1 | InChi: | InChI=1S/C6H11ClN4O/c7-2-1-5(12)10-11-6-8-3-4-9-6/h1-4H2,(H,10,12)(H2,8,9,11)/p+1 | Definition date: | 2018-07-19 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide |
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| HTV | Name: | 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid | Formula: | C25 H24 Cl N O9 | SMILES: | c4c(ccc(c1cc2c(cc1Cl)ncc2C(=O)OC3C(C(O)C(C(O3)C(O)=O)O)O)c4)C5(CCC5)O | InChi: | InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1 | Definition date: | 2018-07-19 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid |
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| HU7 | Name: | 1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid | Formula: | C23 H24 Cl N3 O9 | SMILES: | n2c4cc(c(c1c(nc(cc1)N(C)C)OC)cc4c(c2)C(=O)OC3C(C(O)C(C(O3)C(=O)O)O)O)Cl | InChi: | InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1 | Definition date: | 2018-07-19 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid |
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| HUG | Name: | 1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid | Formula: | C26 H25 F2 N O9 | SMILES: | c4c(ccc(c3c(cc1c(c(cn1)C(=O)OC2C(C(O)C(C(O2)C(=O)O)O)O)c3F)F)c4)C5OCCCC5 | InChi: | InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1 | Definition date: | 2018-07-19 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | 1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid |
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| HVM | Name: | (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide | Formula: | C24 H30 N4 O2 | SMILES: | C(CNC([C@H]=[C@H]c1cnccc1)=O)CCC2CCN(CC2)C(c3cccc(c3)N)=O | InChi: | InChI=1S/C24H30N4O2/c25-22-8-3-7-21(17-22)24(30)28-15-11-19(12-16-28)5-1-2-14-27-23(29)10-9-20-6-4-13-26-18-20/h3-4,6-10,13,17-19H,1-2,5,11-12,14-16,25H2,(H,27,29)/b10-9+ | Definition date: | 2018-07-25 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide |
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| 9KS | Name: | N-(2-hydroxyphenyl)acetamide | Formula: | C8 H9 N O2 | SMILES: | N(C(C)=O)c1ccccc1O | InChi: | InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10) | Definition date: | 2017-05-19 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | N-(2-hydroxyphenyl)acetamide |
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| 9VH | Name: | [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | Formula: | C6 H13 N O5 S | SMILES: | O[CH]1CNC[CH](C[S](O)(=O)=O)[CH]1O | InChi: | InChI=1S/C6H13NO5S/c8-5-2-7-1-4(6(5)9)3-13(10,11)12/h4-9H,1-3H2,(H,10,11,12)/t4-,5-,6-/m1/s1 | Definition date: | 2017-07-18 | Last modified: | 2018-08-03 | Release date: | 2018-08-08 | Identifier: | [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid |
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