| ODG | Name: | 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile | Formula: | C20 H21 N5 O | SMILES: | c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O)CC3)nn4)C#N | InChi: | InChI=1S/C20H21N5O/c21-14-18-7-8-19(23-22-18)24-9-11-25(12-10-24)20(26)13-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,17H,5-6,9-13H2 | Definition date: | 2019-06-20 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
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| RXN | Name: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide | Formula: | C24 H22 Cl N5 O4 | SMILES: | CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O | InChi: | InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1 | Synonyms: | 6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide | Definition date: | 2020-10-31 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide |
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| SBQ | Name: | methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate | Formula: | C20 H21 Cl O8 | SMILES: | COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(Cl)c2 | InChi: | InChI=1S/C20H21ClO8/c1-27-19(26)12-4-2-3-10(7-12)11-5-6-14(13(21)8-11)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1 | Definition date: | 2020-11-13 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate |
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| SYZ | Name: | N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide | Formula: | C13 H14 N2 O3 S | SMILES: | Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O | InChi: | InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17) | Synonyms: | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide | Definition date: | 2020-12-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | ~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide |
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| SZ2 | Name: | 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole | Formula: | C13 H15 N3 O | SMILES: | C1CCC(CC1)c2onc(n2)c3ccncc3 | InChi: | InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2 | Synonyms: | 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole | Definition date: | 2020-12-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole |
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| SZE | Name: | 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one | Formula: | C10 H12 F N3 O | SMILES: | CN1CCN(CC1=O)c2ncccc2F | InChi: | InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3 | Synonyms: | 4-(3-fluoropyridin-2-yl)-1-methylpiperazin-2-one | Definition date: | 2020-12-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (4~{R})-4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one |
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| SZK | Name: | (1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee | Formula: | C14 H15 N3 O | SMILES: | CCn1c(NCc2occc2)nc3ccccc13 | InChi: | InChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16) | Synonyms: | 1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine | Definition date: | 2020-12-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine |
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| SZN | Name: | N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide | Formula: | C14 H16 N2 O3 | SMILES: | Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O | InChi: | InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19) | Synonyms: | ~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide | Definition date: | 2020-12-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | ~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide |
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| QNQ | Name: | 4-methylcatechol cysteine | Formula: | C10 H13 N O4 S | SMILES: | Cc1ccc(O)c(O)c1SC[CH](N)C(O)=O | InChi: | InChI=1S/C10H13NO4S/c1-5-2-3-7(12)8(13)9(5)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (2~{R})-2-azanyl-3-[6-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
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| QNT | Name: | 3,6-dimethylcatechol cysteine | Formula: | C11 H15 N O4 S | SMILES: | Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O | InChi: | InChI=1S/C11H15NO4S/c1-5-3-8(6(2)10(14)9(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (2~{R})-2-azanyl-3-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
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| QNW | Name: | 3-methylcatechol cysteine | Formula: | C10 H13 N O4 S | SMILES: | Cc1ccc(SC[CH](N)C(O)=O)c(O)c1O | InChi: | InChI=1S/C10H13NO4S/c1-5-2-3-7(9(13)8(5)12)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (2~{R})-2-azanyl-3-[4-methyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
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| QO2 | Name: | 4,5-dimethylcatechol cysteine | Formula: | C11 H15 N O4 S | SMILES: | Cc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1C | InChi: | InChI=1S/C11H15NO4S/c1-5-3-8(13)9(14)10(6(5)2)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (2~{R})-2-azanyl-3-[2,3-dimethyl-5,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
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| QO5 | Name: | 3,5-dimethylcatechol cysteine | Formula: | C11 H15 N O4 S | SMILES: | Cc1cc(C)c(SC[CH](N)C(O)=O)c(O)c1O | InChi: | InChI=1S/C11H15NO4S/c1-5-3-6(2)10(9(14)8(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (2~{R})-2-azanyl-3-[4,6-dimethyl-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
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| QO8 | Name: | 3,4-dimethylcatechol cysteine | Formula: | C11 H17 N O4 S | SMILES: | Cc1cc(SC[CH](N)C(O)O)c(O)c(O)c1C | InChi: | InChI=1S/C11H17NO4S/c1-5-3-8(10(14)9(13)6(5)2)17-4-7(12)11(15)16/h3,7,11,13-16H,4,12H2,1-2H3/t7-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 6-[(2~{R})-2-azanyl-3,3-bis(oxidanyl)propyl]sulfanyl-3,4-dimethyl-benzene-1,2-diol |
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| QRN | Name: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol | Formula: | C16 H15 N O2 S | SMILES: | COc1ccc(CCc2sc3ccccc3n2)cc1O | InChi: | InChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3 | Definition date: | 2020-07-30 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol |
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| QRQ | Name: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole | Formula: | C18 H19 N O3 S | SMILES: | COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC | InChi: | InChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3 | Definition date: | 2020-07-30 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
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| QU7 | Name: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol | Formula: | C28 H34 O | SMILES: | C21CC(=C(C1(CCC2O)/C(c3ccccc3)=C)c4ccccc4)CCCCCC | InChi: | InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m1/s1 | Synonyms: | SS-RJW100 | Definition date: | 2019-12-20 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol |
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| U8M | Name: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine | Formula: | C11 H9 F2 N5 | SMILES: | n1c(ccc(c1N)/N=Nc2cccc(F)c2F)N | InChi: | InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16) | Definition date: | 2020-05-04 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine |
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| M7H | Name: | 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone | Formula: | C21 H24 N4 O2 | SMILES: | COc1ccc(cc1)c2cnc3n(C)c(cc3n2)C4CCN(CC4)C(C)=O | InChi: | InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3 | Definition date: | 2019-10-03 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone |
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| Q6E | Name: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide | Formula: | C22 H28 Cl N5 O2 | SMILES: | CC(=O)N[CH]1CCC[CH](C1)C(=O)Nc2cc(c(Cl)cn2)c3cnn4CC(C)(C)Cc34 | InChi: | InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | Definition date: | 2020-05-22 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide |
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| QFN | Name: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one | Formula: | C22 H21 Cl N4 O2 | SMILES: | CN1C=C(C=C(C)C1=O)N2[CH](c3ccc(Cl)cc3)c4c(C)nn(C5CC5)c4C2=O | InChi: | InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/m1/s1 | Definition date: | 2020-06-15 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one |
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| UZD | Name: | methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside | Formula: | C15 H29 N O7 | SMILES: | O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC | InChi: | InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1 | Definition date: | 2020-06-08 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside |
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| V39 | Name: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol | Formula: | C14 H15 N O3 | SMILES: | Cc1c(cccc1O)OCc2cccc(n2)CO | InChi: | InChI=1S/C14H15NO3/c1-10-13(17)6-3-7-14(10)18-9-12-5-2-4-11(8-16)15-12/h2-7,16-17H,8-9H2,1H3 | Definition date: | 2020-06-11 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol |
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| VC7 | Name: | 5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine | Formula: | C11 H16 N5 O7 P | SMILES: | C1(C(C(O)C(COP(C)(=O)O)O1)O)n3c2N=C(N)NC(c2nc3)=O | InChi: | InChI=1S/C11H16N5O7P/c1-24(20,21)22-2-4-6(17)7(18)10(23-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-07-27 | Last modified: | 2020-12-18 | Release date: | 2020-12-23 | Identifier: | 5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine |
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| VHJ | Name: | N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide | Formula: | C29 H38 N4 O6 | SMILES: | c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)C)=O | InChi: | InChI=1S/C29H38N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1 | Definition date: | 2020-08-12 | 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-phenylalaninamide |
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