 | | VHP | | Name: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Formula: | C29 H46 N4 O7 | | SMILES: | c1ccc(cc1)COC(NC(C(=O)NC(C(=O)NC(CC2C(NCC2)=O)CO)CC(C)C)C(C)OC(C)(C)C)=O | | InChi: | InChI=1S/C29H46N4O7/c1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/h7-11,18-19,21-24,34H,12-17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,21+,22+,23+,24+/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-leucinamide |
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 | | VHV | | Name: | N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Formula: | C26 H40 N4 O6 | | SMILES: | c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O | | InChi: | InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1 | | Definition date: | 2020-08-13 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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 | | 4DG | | Name: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate | | Formula: | C8 H12 N5 O6 P | | SMILES: | NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1 | | InChi: | InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14) | | Synonyms: | acyclic guanosine monophosphate | | Definition date: | 2009-11-09 | | Last modified: | 2020-12-12 | | Identifier: | 2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate |
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 | | VXM | | Name: | 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione | | Formula: | C15 H11 F N2 O3 | | SMILES: | C1(NC(c2c1cccc2NCc3cc(F)ccc3O)=O)=O | | InChi: | InChI=1S/C15H11FN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21) | | Definition date: | 2020-09-20 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
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 | | VXP | | Name: | 4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione | | Formula: | C15 H11 Cl N2 O3 | | SMILES: | c1c(cc(O)cc1CNc3cccc2C(NC(=O)c23)=O)Cl | | InChi: | InChI=1S/C15H11ClN2O3/c16-9-4-8(5-10(19)6-9)7-17-12-3-1-2-11-13(12)15(21)18-14(11)20/h1-6,17,19H,7H2,(H,18,20,21) | | Definition date: | 2020-09-20 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
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 | | VXS | | Name: | 4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione | | Formula: | C17 H16 N2 O3 | | SMILES: | C(c1c(cccc1)O)CCNc3cccc2C(=O)NC(c23)=O | | InChi: | InChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22) | | Definition date: | 2020-09-20 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
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 | | VXV | | Name: | 4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione | | Formula: | C17 H15 Cl N2 O3 | | SMILES: | C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3cc(cc(c3)O)Cl | | InChi: | InChI=1S/C17H15ClN2O3/c18-11-7-10(8-12(21)9-11)3-2-6-19-14-5-1-4-13-15(14)17(23)20-16(13)22/h1,4-5,7-9,19,21H,2-3,6H2,(H,20,22,23) | | Definition date: | 2020-09-20 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione |
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 | | W4V | | Name: | 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine | | Formula: | C8 H9 N5 | | SMILES: | n3n2c(c1CCCc1nc2nc3)N | | InChi: | InChI=1S/C8H9N5/c9-7-5-2-1-3-6(5)12-8-10-4-11-13(7)8/h4H,1-3,9H2 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine |
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 | | W4Y | | Name: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | | Formula: | C11 H15 N3 O2 S | | SMILES: | C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S | | InChi: | InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | W51 | | Name: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine | | Formula: | C11 H15 Cl N4 | | SMILES: | C3C2CN(c1c(c(N)ncn1)Cl)C(CC2)C3 | | InChi: | InChI=1S/C11H15ClN4/c12-9-10(13)14-6-15-11(9)16-5-7-1-3-8(16)4-2-7/h6-8H,1-5H2,(H2,13,14,15)/t7-,8+ | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine |
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 | | W57 | | Name: | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine | | Formula: | C10 H10 N6 O2 | | SMILES: | c3(CN2C=NC(=C1N=CN=C12)N)onc(c3)OC | | InChi: | InChI=1S/C10H10N6O2/c1-17-7-2-6(18-15-7)3-16-5-14-9(11)8-10(16)13-4-12-8/h2,4-5H,3,11H2,1H3 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine |
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 | | W5A | | Name: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine | | Formula: | C10 H10 N6 S | | SMILES: | c1(csc(n1)C)CN2C=3C(=C(N)N=C2)N=CN=3 | | InChi: | InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5H,2,11H2,1H3 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine |
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 | | W5J | | Name: | N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine | | Formula: | C10 H12 N4 O2 | | SMILES: | c1nc2nccc2c(n1)N(C)CCC(O)=O | | InChi: | InChI=1S/C10H12N4O2/c1-14(5-3-8(15)16)10-7-2-4-11-9(7)12-6-13-10/h2,4,6H,3,5H2,1H3,(H,15,16)(H,11,12,13) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine |
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 | | W5P | | Name: | 4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C11 H13 F N4 | | SMILES: | c1nc3nccc3c(n1)N2CCCC(F)C2 | | InChi: | InChI=1S/C11H13FN4/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6H2,(H,13,14,15)/t8-/m1/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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 | | W5S | | Name: | 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C13 H14 N4 O | | SMILES: | n1(c2c(c(c1C)C)c(ncn2)N)Cc3ccco3 | | InChi: | InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | W6A | | Name: | 4-chloro-1H-indole-2-carboxylic acid | | Formula: | C9 H6 Cl N O2 | | SMILES: | c2cc1c(cc(C(O)=O)n1)c(c2)Cl | | InChi: | InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-chloro-1H-indole-2-carboxylic acid |
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 | | W6D | | Name: | 1H-indole-4-carboxamide | | Formula: | C9 H8 N2 O | | SMILES: | c2nc1cccc(C(N)=O)c1c2 | | InChi: | InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 1H-indole-4-carboxamide |
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 | | W6M | | Name: | 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid | | Formula: | C12 H11 N3 O4 | | SMILES: | c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2 | | InChi: | InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid |
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 | | W6V | | Name: | N-(1,3-thiazol-2-yl)benzamide | | Formula: | C10 H8 N2 O S | | SMILES: | c2c(C(=O)Nc1nccs1)cccc2 | | InChi: | InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | N-(1,3-thiazol-2-yl)benzamide |
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 | | G6C | | Name: | 5-oxidanyl-1H-pyridin-2-one | | Formula: | C5 H5 N O2 | | SMILES: | OC1=CNC(=O)C=C1 | | InChi: | InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8) | | Definition date: | 2020-07-31 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 5-oxidanyl-1~{H}-pyridin-2-one |
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 | | W7S | | Name: | N-benzylpyrazine-2-carboxamide | | Formula: | C12 H11 N3 O | | SMILES: | c2c(CNC(c1cnccn1)=O)cccc2 | | InChi: | InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | N-benzylpyrazine-2-carboxamide |
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 | | W7V | | Name: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide | | Formula: | C11 H15 N3 O | | SMILES: | C1CCC3C1(C(N(C)c2cnnc2)=O)C3 | | InChi: | InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide |
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 | | W7Y | | Name: | 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C14 H18 N4 | | SMILES: | c1(ncnc2nccc12)N4C(C3CCC3)CCC4 | | InChi: | InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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 | | W8A | | Name: | {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid | | Formula: | C8 H12 N2 O4 S | | SMILES: | CC(C(N1CCNC1=O)=O)SCC(=O)O | | InChi: | InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid |
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 | | W8D | | Name: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine | | Formula: | C10 H13 N5 O | | SMILES: | C3(CN2C=NC(=C1N=CN=C12)N)CCCO3 | | InChi: | InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine |
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