 | | X7H | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | | Formula: | C29 H38 Cl N3 O8 S | | SMILES: | ClCC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12 | | InChi: | InChI=1S/C29H38ClN3O8S/c1-19(2)16-33(42(37,38)22-10-8-21(9-11-22)31-27(35)15-30)17-25(34)24(14-20-6-4-3-5-7-20)32-29(36)41-26-18-40-28-23(26)12-13-39-28/h3-11,19,23-26,28,34H,12-18H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,25+,26-,28+/m0/s1 | | Definition date: | 2022-11-03 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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 | | UX5 | | Name: | N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | | Formula: | C15 H15 N5 O2 | | SMILES: | CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N)cc3 | | InChi: | InChI=1S/C15H15N5O2/c1-9-12(8-17-13-6-14(21)19-20(9)13)15(22)18-7-10-2-4-11(16)5-3-10/h2-6,8H,7,16H2,1H3,(H,18,22)(H,19,21) | | Synonyms: | ~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1,6-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide | | Definition date: | 2021-03-25 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | ~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
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 | | X8R | | Name: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one | | Formula: | C10 H16 N2 O2 | | SMILES: | CC(=O)N1C2CC3CC1CC(C2)N3O | | InChi: | InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+ | | Definition date: | 2022-11-07 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
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 | | HFF | | Name: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | | Formula: | C21 H24 N4 O3 S2 | | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=S)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1 | | InChi: | InChI=1S/C21H24N4O3S2/c22-30(27,28)17-7-5-15(6-8-17)9-11-23-21(29)24-13-19-18-4-2-1-3-16(18)10-12-25(19)20(26)14-24/h1-8,19H,9-14H2,(H,23,29)(H2,22,27,28)/t19-/m0/s1 | | Synonyms: | (11b-R)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | | Definition date: | 2022-02-07 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (11~{b}~{R})-4-oxidanylidene-~{N}-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carbothioamide |
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 | | V0Z | | Name: | N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | | Formula: | C14 H13 N5 O2 | | SMILES: | CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(N)cc3 | | InChi: | InChI=1S/C14H13N5O2/c1-8-11(7-16-12-6-13(20)18-19(8)12)14(21)17-10-4-2-9(15)3-5-10/h2-7H,15H2,1H3,(H,17,21)(H,18,20) | | Synonyms: | ~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide | | Definition date: | 2021-04-01 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | ~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
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 | | HIH | | Name: | ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Formula: | C23 H27 N3 O2 | | SMILES: | CCOC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4 | | InChi: | InChI=1S/C23H27N3O2/c1-2-28-23(27)22-16-20-15-19(18-7-12-25-13-8-18)3-4-21(20)26(22)14-9-17-5-10-24-11-6-17/h3-4,7-8,12-13,15-17,24H,2,5-6,9-11,14H2,1H3 | | Definition date: | 2022-02-07 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate |
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 | | HIL | | Name: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide | | Formula: | C21 H24 N4 O4 S | | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=O)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1 | | InChi: | InChI=1S/C21H24N4O4S/c22-30(28,29)17-7-5-15(6-8-17)9-11-23-21(27)24-13-19-18-4-2-1-3-16(18)10-12-25(19)20(26)14-24/h1-8,19H,9-14H2,(H,23,27)(H2,22,28,29)/t19-/m0/s1 | | Synonyms: | (11b-R)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carboxamide | | Definition date: | 2022-02-07 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (11~{b}~{R})-4-oxidanylidene-~{N}-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide |
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 | | YDU | | Name: | 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide | | Formula: | C10 H15 N3 O2 | | SMILES: | O=C(Nc1nc(C)no1)CC1CCCC1 | | InChi: | InChI=1S/C10H15N3O2/c1-7-11-10(15-13-7)12-9(14)6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,11,12,13,14) | | Definition date: | 2023-01-26 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide |
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 | | YDX | | Name: | N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide | | Formula: | C9 H11 N5 O | | SMILES: | O=C(Nc1ccn(C)n1)Cn1cccn1 | | InChi: | InChI=1S/C9H11N5O/c1-13-6-3-8(12-13)11-9(15)7-14-5-2-4-10-14/h2-6H,7H2,1H3,(H,11,12,15) | | Definition date: | 2023-01-26 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide |
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 | | YEF | | Name: | 4-(4-methoxyphenyl)oxane-4-carboxylic acid | | Formula: | C13 H16 O4 | | SMILES: | OC(=O)C1(CCOCC1)c1ccc(OC)cc1 | | InChi: | InChI=1S/C13H16O4/c1-16-11-4-2-10(3-5-11)13(12(14)15)6-8-17-9-7-13/h2-5H,6-9H2,1H3,(H,14,15) | | Definition date: | 2023-01-26 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 4-(4-methoxyphenyl)oxane-4-carboxylic acid |
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 | | YEK | | Name: | methyl 1-(methanesulfonyl)-2-methyl-D-prolinate | | Formula: | C8 H15 N O4 S | | SMILES: | O=S(C)(=O)N1CCCC1(C)C(=O)OC | | InChi: | InChI=1S/C8H15NO4S/c1-8(7(10)13-2)5-4-6-9(8)14(3,11)12/h4-6H2,1-3H3/t8-/m1/s1 | | Definition date: | 2023-01-26 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | methyl 1-(methanesulfonyl)-2-methyl-D-prolinate |
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 | | YER | | Name: | 3-[(pyrimidin-2-yl)amino]benzoic acid | | Formula: | C11 H9 N3 O2 | | SMILES: | O=C(O)c1cc(ccc1)Nc1ncccn1 | | InChi: | InChI=1S/C11H9N3O2/c15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11/h1-7H,(H,15,16)(H,12,13,14) | | Definition date: | 2023-01-26 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 3-[(pyrimidin-2-yl)amino]benzoic acid |
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 | | YEZ | | Name: | [1]benzofuro[2,3-d]pyridazin-4(3H)-one | | Formula: | C10 H6 N2 O2 | | SMILES: | O=C1NN=Cc2c3ccccc3oc21 | | InChi: | InChI=1S/C10H6N2O2/c13-10-9-7(5-11-12-10)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13) | | Definition date: | 2023-01-26 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | [1]benzofuro[2,3-d]pyridazin-4(3H)-one |
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 | | UPZ | | Name: | ethyl 7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate | | Formula: | C10 H11 N3 O3 | | SMILES: | CCOC(=O)C1=C(C)N2NC(=O)C=C2N=C1 | | InChi: | InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-8-4-9(14)12-13(8)6(7)2/h4-5H,3H2,1-2H3,(H,12,14) | | Definition date: | 2021-03-04 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | ethyl 7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxylate |
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 | | YFN | | Name: | N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide | | Formula: | C9 H15 N O3 S | | SMILES: | O=S1(=O)CCC(C)(NC(=O)C2CC2)C1 | | InChi: | InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m0/s1 | | Definition date: | 2023-01-26 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide |
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 | | YFR | | Name: | 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one | | Formula: | C10 H9 Br O4 | | SMILES: | Brc1cc2C(=O)OC(C)(C)Oc2cc1O | | InChi: | InChI=1S/C10H9BrO4/c1-10(2)14-8-4-7(12)6(11)3-5(8)9(13)15-10/h3-4,12H,1-2H3 | | Definition date: | 2023-01-26 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one |
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 | | YG5 | | Name: | 2-(1H-indazol-1-yl)-N,N-dimethylacetamide | | Formula: | C11 H13 N3 O | | SMILES: | CN(C)C(=O)Cn1ncc2ccccc21 | | InChi: | InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3 | | Definition date: | 2023-01-27 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 2-(1H-indazol-1-yl)-N,N-dimethylacetamide |
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 | | YG9 | | Name: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione | | Formula: | C13 H16 N2 O3 | | SMILES: | COc1ccc(cc1)CCC1(C)NC(=O)NC1=O | | InChi: | InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1 | | Definition date: | 2023-01-28 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione |
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 | | YGR | | Name: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol | | Formula: | C31 H37 Br N4 O7 | | SMILES: | COc1nc(cc(c1OC)C(c1cc2cc(Br)ccc2nc1OC)C(O)(CCN(C)C)c1cc(OC)nc(OC)c1)OC | | InChi: | InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1 | | Definition date: | 2023-02-01 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol |
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 | | XZF | | Name: | Polythiazide | | Formula: | C11 H13 Cl F3 N3 O4 S3 | | SMILES: | NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl | | InChi: | InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1 | | Synonyms: | (3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide | | Definition date: | 2022-12-15 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | (3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide |
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 | | YHF | | Name: | 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine | | Formula: | C15 H22 N5 O7 P | | SMILES: | O=P(O)(OC1CCCC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C15H22N5O7P/c16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(26-15)5-25-28(23,24)27-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,23,24)(H2,16,17,18)/t9-,11-,12-,15-/m1/s1 | | Definition date: | 2023-02-03 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine |
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 | | YHK | | Name: | 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine | | Formula: | C13 H18 N5 O7 P | | SMILES: | O=P(O)(OC1CC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C13H18N5O7P/c14-11-8-12(16-4-15-11)18(5-17-8)13-10(20)9(19)7(24-13)3-23-26(21,22)25-6-1-2-6/h4-7,9-10,13,19-20H,1-3H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | | Definition date: | 2023-02-03 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine |
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 | | YHQ | | Name: | 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine | | Formula: | C13 H20 N5 O7 P | | SMILES: | CC(C)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C13H20N5O7P/c1-6(2)25-26(21,22)23-3-7-9(19)10(20)13(24-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13,19-20H,3H2,1-2H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | | Definition date: | 2023-02-03 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine |
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 | | YHT | | Name: | 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine | | Formula: | C13 H16 N5 O7 P | | SMILES: | O=P(O)(OCC#C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C13H16N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | | Definition date: | 2023-02-03 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine |
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 | | WKC | | Name: | 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide | | Formula: | C25 H34 N8 O2 | | SMILES: | NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCC(C1)N1CCN(C)C1=O | | InChi: | InChI=1S/C25H34N8O2/c1-31-13-14-33(25(31)35)20-3-2-12-32(16-20)21-15-28-22(23(26)34)24(30-21)29-19-6-4-17(5-7-19)18-8-10-27-11-9-18/h4-7,15,18,20,27H,2-3,8-14,16H2,1H3,(H2,26,34)(H,29,30)/t20-/m1/s1 | | Definition date: | 2022-09-19 | | Last modified: | 2023-02-10 | | Release date: | 2023-02-15 | | Identifier: | 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide |
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