 | | FX5 | | Name: | 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol | | Formula: | C14 H18 N5 O | | SMILES: | Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O | | InChi: | InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)/p+1 | | Definition date: | 2018-08-10 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol |
|
 | | FX8 | | Name: | (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C46 H60 F N9 O8 S | | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCOCCOCCN5CCN(CC5)c6cc(nnc6N)c7ccccc7O)c2 | | InChi: | InChI=1S/C46H60FN9O8S/c1-29-39(65-28-50-29)30-9-10-31(26-49-42(59)36-24-32(57)27-56(36)43(60)40(45(2,3)4)51-44(61)46(47)11-12-46)38(23-30)64-22-21-63-20-19-62-18-17-54-13-15-55(16-14-54)35-25-34(52-53-41(35)48)33-7-5-6-8-37(33)58/h5-10,23,25,28,32,36,40,57-58H,11-22,24,26-27H2,1-4H3,(H2,48,53)(H,49,59)(H,51,61)/t32-,36+,40-/m1/s1 | | Definition date: | 2018-08-10 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
|
 | | H5V | | Name: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C12 H16 N4 O4 | | SMILES: | OC1C(C(OC1CO)n3c2c(c(ncn2)N)cc3)(C)O | | InChi: | InChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t7-,8-,11-,12-/m1/s1 | | Definition date: | 2018-06-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
|
 | | H5Y | | Name: | 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid | | Formula: | C23 H27 N5 O4 | | SMILES: | c3(OC)ccc(c1c(cnn1c2cc(C(=O)O)ccn2)C(=O)N(CCN(C)C)CC)cc3 | | InChi: | InChI=1S/C23H27N5O4/c1-5-27(13-12-26(2)3)22(29)19-15-25-28(20-14-17(23(30)31)10-11-24-20)21(19)16-6-8-18(32-4)9-7-16/h6-11,14-15H,5,12-13H2,1-4H3,(H,30,31) | | Definition date: | 2018-06-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid |
|
 | | H61 | | Name: | 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid | | Formula: | C22 H22 N4 O2 S | | SMILES: | C(=O)(O)c2c1sc(cc1ncc2)c4nc3ccccc3n4CCN5CCCCC5 | | InChi: | InChI=1S/C22H22N4O2S/c27-22(28)15-8-9-23-17-14-19(29-20(15)17)21-24-16-6-2-3-7-18(16)26(21)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,27,28) | | Definition date: | 2018-06-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid |
|
 | | H67 | | Name: | 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid | | Formula: | C30 H32 N4 O3 | | SMILES: | c4c(c(c2cc(c1ccccc1)ccc2)n(c3cc(C(=O)O)ccn3)n4)C(C)OCCN5CCCCC5 | | InChi: | InChI=1S/C30H32N4O3/c1-22(37-18-17-33-15-6-3-7-16-33)27-21-32-34(28-20-26(30(35)36)13-14-31-28)29(27)25-12-8-11-24(19-25)23-9-4-2-5-10-23/h2,4-5,8-14,19-22H,3,6-7,15-18H2,1H3,(H,35,36)/t22-/m0/s1 | | Definition date: | 2018-06-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid |
|
 | | H6A | | Name: | 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid | | Formula: | C29 H30 N4 O3 | | SMILES: | C(=O)(O)c1ccnc(c1)n3c(c2ccccc2)c(cn3)C(c4ccccc4)OCCN5CCCCC5 | | InChi: | InChI=1S/C29H30N4O3/c34-29(35)24-14-15-30-26(20-24)33-27(22-10-4-1-5-11-22)25(21-31-33)28(23-12-6-2-7-13-23)36-19-18-32-16-8-3-9-17-32/h1-2,4-7,10-15,20-21,28H,3,8-9,16-19H2,(H,34,35)/t28-/m1/s1 | | Definition date: | 2018-06-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid |
|
 | | HJT | | Name: | (2~{S})-2-azanyl-4-sulfo-butanoic acid | | Formula: | C4 H9 N O5 S | | SMILES: | N[CH](CC[S](O)(=O)=O)C(O)=O | | InChi: | InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1 | | Definition date: | 2018-12-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | (2~{S})-2-azanyl-4-sulfo-butanoic acid |
|
 | | HOJ | | Name: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide | | Formula: | C26 H27 N3 O5 | | SMILES: | n3c(ccc4C(C(Nc1ccc(cc1)OCc2ccccc2OC)=O)N(CCc34)C(C)=O)OC | | InChi: | InChI=1S/C26H27N3O5/c1-17(30)29-15-14-22-21(12-13-24(28-22)33-3)25(29)26(31)27-19-8-10-20(11-9-19)34-16-18-6-4-5-7-23(18)32-2/h4-13,25H,14-16H2,1-3H3,(H,27,31)/t25-/m1/s1 | | Definition date: | 2018-07-16 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide |
|
 | | J1H | | Name: | [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium | | Formula: | C44 H48 Cl N6 O7 S2 | | SMILES: | C[N+](C)(CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(Cl)cc6)CC(O)=O | | InChi: | InChI=1S/C44H47ClN6O7S2/c1-51(2,30-43(52)53)27-22-36(31-59-38-9-4-3-5-10-38)46-41-21-20-39(28-42(41)50(55)56)60(57,58)47-44(54)33-14-18-37(19-15-33)49-25-23-48(24-26-49)29-34-8-6-7-11-40(34)32-12-16-35(45)17-13-32/h3-21,28,36,46H,22-27,29-31H2,1-2H3,(H-,47,52,53,54)/p+1/t36-/m1/s1 | | Definition date: | 2019-01-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium |
|
 | | J1Q | | Name: | 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide | | Formula: | C30 H39 N5 O2 | | SMILES: | CCCCN(CCCC)C(=O)c1cc(C)n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[CH]3CN | | InChi: | InChI=1S/C30H39N5O2/c1-4-6-16-33(17-7-5-2)30(37)27-18-22(3)35(32-27)28-15-11-10-14-26(28)29(36)34-21-24-13-9-8-12-23(24)19-25(34)20-31/h8-15,18,25H,4-7,16-17,19-21,31H2,1-3H3/t25-/m0/s1 | | Definition date: | 2019-01-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide |
|
 | | J1T | | Name: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide | | Formula: | C48 H51 F3 N4 O9 S3 | | SMILES: | COc1cc2OCOc2cc1[CH](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)N[S](=O)(=O)c6ccc(N[CH](CCN7CCOCC7)CSc8ccccc8)c(c6)[S](=O)(=O)C(F)(F)F | | InChi: | InChI=1S/C48H51F3N4O9S3/c1-61-43-29-45-44(63-32-64-45)28-40(43)41(30-55-20-5-6-21-55)35-13-9-33(10-14-35)34-11-15-36(16-12-34)47(56)53-67(59,60)39-17-18-42(46(27-39)66(57,58)48(49,50)51)52-37(19-22-54-23-25-62-26-24-54)31-65-38-7-3-2-4-8-38/h2-4,7-18,27-29,37,41,52H,5-6,19-26,30-32H2,1H3,(H,53,56)/t37-,41-/m1/s1 | | Definition date: | 2019-01-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide |
|
 | | LRV | | Name: | (8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid | | Formula: | C38 H62 O18 | | SMILES: | C7(C(C(C(OC1C(OC(CO)C(C1OC2C(O)C(C(O)C(CO)O2)O)O)OC34CC6(CC3C)C(CC4)C5(C)CCCC(C(O)=O)(C5CC6)C)OC7CO)O)O)O | | InChi: | InChI=1S/C38H62O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h16-33,39-48H,4-15H2,1-3H3,(H,49,50)/t16-,17-,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | (8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid |
|
 | | 9JO | | Name: | N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide | | Formula: | C33 H41 Cl N8 O2 | | SMILES: | c12nc(ncc1CN(C(N2C3CCC(CC3)NC(CC)=O)=O)c4ccccc4Cl)Nc5ccc(c(C)c5)N6CCN(C)CC6 | | InChi: | InChI=1S/C33H41ClN8O2/c1-4-30(43)36-24-9-12-26(13-10-24)42-31-23(21-41(33(42)44)29-8-6-5-7-27(29)34)20-35-32(38-31)37-25-11-14-28(22(2)19-25)40-17-15-39(3)16-18-40/h5-8,11,14,19-20,24,26H,4,9-10,12-13,15-18,21H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,26- | | Definition date: | 2018-05-11 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide |
|
 | | UCZ | | Name: | (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol | | Formula: | C15 H18 Cl N3 O | | SMILES: | CC(C)(C)C(C(n1cncn1)=[C@H]c2ccc(cc2)Cl)O | | InChi: | InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1 | | Definition date: | 2018-06-13 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol |
|
 | | 9RL | | Name: | (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol | | Formula: | C18 H18 Cl N3 O | | SMILES: | C(C(C(C)(O)c1ccccc1)n2cncn2)c3ccc(cc3)Cl | | InChi: | InChI=1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3/t17-,18+/m0/s1 | | Definition date: | 2018-07-04 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol |
|
 | | N9J | | Name: | benzyl hydroxycarbamate | | Formula: | C8 H9 N O3 | | SMILES: | c1cccc(c1)COC(=O)NO | | InChi: | InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10) | | Definition date: | 2019-05-09 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | benzyl hydroxycarbamate |
|
 | | A0R | | Name: | 2',4'-dihydroxy-2-methoxychalcone | | Formula: | C16 H14 O4 | | SMILES: | COc1ccccc1C=CC(=O)c2ccc(O)cc2O | | InChi: | InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+ | | Definition date: | 2018-09-12 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one |
|
 | | J3E | | Name: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid | | Formula: | C27 H25 N3 O3 | | SMILES: | Cc1[nH]nc(C)c1c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O | | InChi: | InChI=1S/C27H25N3O3/c1-16-24(17(2)30-29-16)22-12-6-11-20-21(26(27(31)32)28-25(20)22)13-7-15-33-23-14-5-9-18-8-3-4-10-19(18)23/h3-6,8-12,14,28H,7,13,15H2,1-2H3,(H,29,30)(H,31,32) | | Definition date: | 2019-01-17 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid |
|
 | | L9S | | Name: | N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea | | Formula: | C29 H33 F N8 O2 | | SMILES: | C4N(C(c1cccc(c1)NC(Nc3c(cccc3N2CCCC2)F)=O)CN(C4)c5ncnc6c5ccn6)CCO | | InChi: | InChI=1S/C29H33FN8O2/c30-23-7-4-8-24(36-11-1-2-12-36)26(23)35-29(40)34-21-6-3-5-20(17-21)25-18-38(14-13-37(25)15-16-39)28-22-9-10-31-27(22)32-19-33-28/h3-10,17,19,25,39H,1-2,11-16,18H2,(H,31,32,33)(H2,34,35,40)/t25-/m0/s1 | | Definition date: | 2019-02-15 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea |
|
 | | M8J | | Name: | 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide | | Formula: | C15 H18 N4 O5 S | | SMILES: | c1cc(ccc1NC(CN3C(C2(CCCC2)NC3=O)=O)=O)S(N)(=O)=O | | InChi: | InChI=1S/C15H18N4O5S/c16-25(23,24)11-5-3-10(4-6-11)17-12(20)9-19-13(21)15(18-14(19)22)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,20)(H,18,22)(H2,16,23,24) | | Definition date: | 2019-03-27 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide |
|
 | | M8S | | Name: | 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide | | Formula: | C17 H22 N4 O5 S | | SMILES: | c1cc(ccc1NC(CN3C(=O)C2(CCCCCC2)NC3=O)=O)S(N)(=O)=O | | InChi: | InChI=1S/C17H22N4O5S/c18-27(25,26)13-7-5-12(6-8-13)19-14(22)11-21-15(23)17(20-16(21)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,22)(H,20,24)(H2,18,25,26) | | Definition date: | 2019-03-27 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide |
|
 | | M8V | | Name: | 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide | | Formula: | C16 H20 N4 O5 S | | SMILES: | c1cc(ccc1NC(CN3C(C2(CCCCC2)NC3=O)=O)=O)S(N)(=O)=O | | InChi: | InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25) | | Definition date: | 2019-03-27 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide |
|
 | | 9FC | | Name: | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide | | Formula: | C20 H24 N6 O | | SMILES: | c1(C(N)=O)cc(c(nc1Nc2cc(C)ccc2)NC3CCCCC3N)C#N | | InChi: | InChI=1S/C20H24N6O/c1-12-5-4-6-14(9-12)24-20-15(18(23)27)10-13(11-21)19(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,27)(H2,24,25,26)/t16-,17+/m0/s1 | | Definition date: | 2018-04-04 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide |
|
 | | K4Z | | Name: | 3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium | | Formula: | C58 H74 N22 O10 | | SMILES: | Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)cn2C)cc1C(=O)NCC[CH]([NH3+])C(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C | | InChi: | InChI=1S/C58H72N22O10/c1-72(2)18-11-14-60-47(81)13-16-63-52(84)41-21-34(27-75(41)5)65-54(86)43-23-36(29-77(43)7)67-56(88)45-25-38(31-79(45)9)69-58(90)49-70-46(32-80(49)10)71-50(82)39(59)12-15-62-51(83)40-20-33(26-74(40)4)64-53(85)42-22-35(28-76(42)6)66-55(87)44-24-37(30-78(44)8)68-57(89)48-61-17-19-73(48)3/h17,19-32,39H,11-16,18,59H2,1-10H3,(H,60,81)(H,62,83)(H,63,84)(H,64,85)(H,65,86)(H,66,87)(H,67,88)(H,68,89)(H,69,90)(H,71,82)/p+2/t39-/m1/s1 | | Definition date: | 2019-04-24 | | Last modified: | 2019-06-07 | | Release date: | 2019-06-12 | | Identifier: | 3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium |
|
