 | | WBA | | Name: | N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide | | Formula: | C29 H26 F N5 O3 S | | SMILES: | c5ccc(c(C(NCCCCC(c1nc(cn1)c3ccc2ccccc2c3)NC(c4cncs4)=O)=O)c5O)F | | InChi: | InChI=1S/C29H26FN5O3S/c30-21-8-5-10-24(36)26(21)29(38)32-13-4-3-9-22(35-28(37)25-16-31-17-39-25)27-33-15-23(34-27)20-12-11-18-6-1-2-7-19(18)14-20/h1-2,5-8,10-12,14-17,22,36H,3-4,9,13H2,(H,32,38)(H,33,34)(H,35,37)/t22-/m0/s1 | | Definition date: | 2020-10-07 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide |
|
 | | XM7 | | Name: | 5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine | | Formula: | C11 H16 N5 O7 P | | SMILES: | c1nc3c(c(n1)N)ncn3C2C(C(C(O2)COP(OC)(O)=O)O)O | | InChi: | InChI=1S/C11H16N5O7P/c1-21-24(19,20)22-2-5-7(17)8(18)11(23-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2020-12-18 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine |
|
 | | XNJ | | Name: | N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide | | Formula: | C27 H28 N6 O S | | SMILES: | C1N(CCNC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(c3)Nc4scc(n4)c5cccnc5 | | InChi: | InChI=1S/C27H28N6OS/c1-19-4-9-23(15-24(19)31-27-32-25(18-35-27)22-3-2-10-29-16-22)30-26(34)21-7-5-20(6-8-21)17-33-13-11-28-12-14-33/h2-10,15-16,18,28H,11-14,17H2,1H3,(H,30,34)(H,31,32) | | Synonyms: | demethylated masitinib | | Definition date: | 2020-12-22 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide |
|
 | | FWO | | Name: | (2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid | | Formula: | C10 H18 N2 O5 | | SMILES: | CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O | | InChi: | InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1 | | Definition date: | 2020-06-25 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (2~{S})-2-[[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid |
|
 | | F4F | | Name: | (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 | | Formula: | C15 H22 O5 | | SMILES: | CC(C)[CH]1CC[C](C)(O)[CH]2[CH]1C=C(COC2=O)C(O)=O | | InChi: | 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-,12-,15+/m1/s1 | | Definition date: | 2020-03-23 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (5~{a}~{S},6~{R},9~{S},9~{a}~{S})-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5~{a},6,7,8,9~{a}-hexahydro-2-benzoxepine-4-carboxylic acid |
|
 | | QLH | | Name: | 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile | | Formula: | C16 H15 F3 N4 | | SMILES: | N[CH]1C[CH](CN(C1)c2ccc(C#N)c3ncccc23)C(F)(F)F | | InChi: | InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1 | | Definition date: | 2020-06-29 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile |
|
 | | QT7 | | Name: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide | | Formula: | C11 H20 Cl N O3 S | | SMILES: | N(CC(C)(C)C)(C1CCS(C1)(=O)=O)C(CCl)=O | | InChi: | InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1 | | Definition date: | 2019-12-18 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide |
|
 | | QVA | | Name: | (2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid | | Formula: | C7 H11 N O7 S | | SMILES: | NC(CSC(C(O)=O)C(O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C7H11NO7S/c8-2(5(10)11)1-16-4(7(14)15)3(9)6(12)13/h2-4,9H,1,8H2,(H,10,11)(H,12,13)(H,14,15)/t2-,3-,4-/m0/s1 | | Definition date: | 2019-12-20 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid |
|
 | | QX7 | | Name: | N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine | | Formula: | C13 H15 F N2 O6 S | | SMILES: | c1c(c(ccc1S(=O)(=O)F)C)C(NCC(C(=O)O)NC(=O)C)=O | | InChi: | InChI=1S/C13H15FN2O6S/c1-7-3-4-9(23(14,21)22)5-10(7)12(18)15-6-11(13(19)20)16-8(2)17/h3-5,11H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t11-/m0/s1 | | Definition date: | 2020-01-10 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine |
|
 | | R4Q | | Name: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid | | Formula: | C24 H21 Cl F N O6 | | SMILES: | C[CH](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[CH](C4)C(O)=O | | InChi: | InChI=1S/C24H21ClFNO6/c1-13(23(29)27-8-2-3-14(12-27)24(30)31)32-16-5-7-18-19(11-22(28)33-21(18)10-16)17-6-4-15(26)9-20(17)25/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,30,31)/t13-,14-/m1/s1 | | Definition date: | 2020-09-01 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid |
|
 | | PW5 | | Name: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid | | Formula: | C11 H13 Br N2 O3 | | SMILES: | Cc1cc(NC(=O)CCC(O)=O)nc(C)c1Br | | InChi: | InChI=1S/C11H13BrN2O3/c1-6-5-8(13-7(2)11(6)12)14-9(15)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17)(H,13,14,15) | | Definition date: | 2020-04-29 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid |
|
 | | QAH | | Name: | [(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate | | Formula: | C11 H19 N O10 S | | SMILES: | OC[CH]1O[CH](OCC(=N)[CH](O)C=C)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O | | InChi: | InChI=1S/C11H19NO10S/c1-2-6(14)5(12)4-20-11-9(16)10(22-23(17,18)19)8(15)7(3-13)21-11/h2,6-16H,1,3-4H2,(H,17,18,19)/b12-5+/t6-,7+,8-,9+,10-,11+/m0/s1 | | Definition date: | 2020-05-30 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | [(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(3~{S})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate |
|
 | | 2JP | | Name: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid | | Formula: | C13 H12 N2 O3 | | SMILES: | O=C(O)CCC(=O)Nc2ncc1ccccc1c2 | | InChi: | InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16) | | Definition date: | 2013-11-06 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid |
|
 | | NWK | | Name: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid | | Formula: | C20 H20 Cl2 N4 O5 S | | SMILES: | Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl | | InChi: | InChI=1S/C20H20Cl2N4O5S/c1-10-14(21)15(22)17(23-10)18(27)25-20-24-16-12(8-11(19(28)29)9-13(16)32-20)31-7-4-26-2-5-30-6-3-26/h8-9,23H,2-7H2,1H3,(H,28,29)(H,24,25,27) | | Definition date: | 2020-01-02 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid |
|
 | | UZG | | Name: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide | | Formula: | C22 H20 N4 O3 | | SMILES: | COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n4)C(=N)N | | InChi: | InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26) | | Definition date: | 2020-06-08 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide |
|
 | | VBS | | Name: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one | | Formula: | C28 H25 N7 O | | SMILES: | c12c(ncnc1n(CC)c(n2)c3cnc(nc3)C)c5ccc6NC(C(C)(Cc4ccccc4)c6c5)=O | | InChi: | InChI=1S/C28H25N7O/c1-4-35-25(20-14-29-17(2)30-15-20)34-24-23(31-16-32-26(24)35)19-10-11-22-21(12-19)28(3,27(36)33-22)13-18-8-6-5-7-9-18/h5-12,14-16H,4,13H2,1-3H3,(H,33,36)/t28-/m0/s1 | | Definition date: | 2020-07-24 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one |
|
 | | VYV | | Name: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide | | Formula: | C15 H18 N4 O5 S2 | | SMILES: | c1ccccc1NC(NCCS(Nc2ccc(cc2)S(=O)(=O)N)(=O)=O)=O | | InChi: | InChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20) | | Definition date: | 2020-09-22 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide |
|
 | | VYY | | Name: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C16 H20 N4 O5 S2 | | SMILES: | N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21) | | Definition date: | 2020-09-22 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
|
 | | VZ1 | | Name: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C17 H22 N4 O5 S2 | | SMILES: | c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C | | InChi: | InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22) | | Definition date: | 2020-09-23 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
|
 | | VZD | | Name: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | | Formula: | C15 H17 F N4 O5 S2 | | SMILES: | N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O | | InChi: | InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21) | | Definition date: | 2020-09-23 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide |
|
 | | G5L | | Name: | 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid | | Formula: | C18 H15 N O4 | | SMILES: | CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2 | | InChi: | InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21) | | Definition date: | 2020-07-28 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid |
|
 | | G5O | | Name: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid | | Formula: | C20 H14 Cl N O5 S | | SMILES: | OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3 | | InChi: | InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25) | | Definition date: | 2020-07-28 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid |
|
 | | WT7 | | Name: | 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine | | Formula: | C14 H22 N5 O7 P | | SMILES: | C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O | | InChi: | InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine |
|
 | | WZD | | Name: | N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine | | Formula: | C12 H11 N3 O | | SMILES: | c1cccc2c1nc(n2)NCc3ccco3 | | InChi: | InChI=1S/C12H11N3O/c1-2-6-11-10(5-1)14-12(15-11)13-8-9-4-3-7-16-9/h1-7H,8H2,(H2,13,14,15) | | Definition date: | 2020-11-18 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine |
|
 | | XM2 | | Name: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | | Formula: | C32 H44 N4 O7 | | SMILES: | c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O | | InChi: | InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1 | | Definition date: | 2020-08-13 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide |
|
