 | | WNY | | Name: | 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one | | Formula: | C12 H15 Cl N2 O | | SMILES: | c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl | | InChi: | InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one |
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 | | WO1 | | Name: | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate | | Formula: | C11 H15 N O3 | | SMILES: | c2cc(C(=O)OC1CCCN(C)C1)oc2 | | InChi: | InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate |
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 | | WO7 | | Name: | 1-(1,4-diazepan-1-yl)ethan-1-one | | Formula: | C7 H14 N2 O | | SMILES: | C1CNCCCN1C(C)=O | | InChi: | InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 1-(1,4-diazepan-1-yl)ethan-1-one |
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 | | WOA | | Name: | (3S)-3-(methylamino)-1-phenylpiperidin-2-one | | Formula: | C12 H16 N2 O | | SMILES: | c2(N1CCCC(NC)C1=O)ccccc2 | | InChi: | InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (3S)-3-(methylamino)-1-phenylpiperidin-2-one |
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 | | WOD | | Name: | 3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole | | Formula: | C9 H13 N3 O | | SMILES: | C1C(CNC1)c3onc(C2CC2)n3 | | InChi: | InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/t7-/m1/s1 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole |
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 | | WOJ | | Name: | (3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine | | Formula: | C7 H16 N2 O2 S | | SMILES: | CC1CN(CCC1N)S(C)(=O)=O | | InChi: | InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1 | | Definition date: | 2020-10-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine |
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 | | WP4 | | Name: | (3R)-N-benzylpyrrolidin-3-amine | | Formula: | C11 H16 N2 | | SMILES: | c1cc(ccc1)CNC2CCNC2 | | InChi: | InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m1/s1 | | Definition date: | 2020-11-02 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (3R)-N-benzylpyrrolidin-3-amine |
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 | | WQD | | Name: | UDP-4-deoxy-4-formamido-beta-L-arabinopyranose | | Formula: | C15 H23 N3 O16 P2 | | SMILES: | C(OP(OP(O)(=O)OC1C(O)C(O)C(NC=O)CO1)(=O)O)C3C(C(O)C(N2C=CC(NC2=O)=O)O3)O | | InChi: | InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1 | | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S})-5-formamido-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | | Definition date: | 2020-11-04 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S)-5-(formylamino)-3,4-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | WSS | | Name: | tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium | | Formula: | C44 H85 N O8 P | | SMILES: | C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O | | InChi: | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1 | | Definition date: | 2020-11-04 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium |
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 | | Q52 | | Name: | ~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine | | Formula: | C23 H27 Cl N4 O | | SMILES: | COc1ccc2nccc(CCN3CCC(CC3)NCc4ccc(Cl)cc4)c2n1 | | InChi: | InChI=1S/C23H27ClN4O/c1-29-22-7-6-21-23(27-22)18(8-12-25-21)9-13-28-14-10-20(11-15-28)26-16-17-2-4-19(24)5-3-17/h2-8,12,20,26H,9-11,13-16H2,1H3 | | Definition date: | 2020-05-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | ~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine |
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 | | Q6K | | Name: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide | | Formula: | C28 H35 N7 O2 | | SMILES: | CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C | | InChi: | InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32) | | Definition date: | 2020-05-25 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide |
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 | | QKJ | | Name: | 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid | | Formula: | C18 H24 N4 O4 | | SMILES: | c1ccc(CCC(=O)O)cc1OCCCOc2c(CC)nc(nc2N)N | | InChi: | InChI=1S/C18H24N4O4/c1-2-14-16(17(19)22-18(20)21-14)26-10-4-9-25-13-6-3-5-12(11-13)7-8-15(23)24/h3,5-6,11H,2,4,7-10H2,1H3,(H,23,24)(H4,19,20,21,22) | | Definition date: | 2019-11-06 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid |
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 | | C5F | | Name: | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid | | Formula: | C13 H14 Cl2 O3 | | SMILES: | C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C | | InChi: | InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1 | | Definition date: | 2019-01-23 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid |
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 | | CD0 | | Name: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol | | Formula: | C21 H32 O2 | | SMILES: | c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O | | InChi: | InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1 | | Definition date: | 2018-05-09 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol |
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 | | F80 | | Name: | N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine | | Formula: | C19 H25 N5 O | | SMILES: | CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1 | | InChi: | InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24) | | Definition date: | 2020-04-08 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | ~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine |
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 | | H3U | | Name: | 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid | | Formula: | C25 H21 N3 O11 S3 | | SMILES: | Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O | | InChi: | InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39) | | Definition date: | 2020-11-02 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid |
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 | | E0O | | Name: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid | | Formula: | C10 H11 Cl O3 | | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(O)=O | | InChi: | InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) | | Definition date: | 2019-09-30 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-(4-chloranylphenoxy)-2-methyl-propanoic acid |
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 | | EA6 | | Name: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine | | Formula: | C14 H19 Cl F N5 O2 | | SMILES: | CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl | | InChi: | InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20) | | Definition date: | 2019-11-28 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
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 | | K7M | | Name: | (2R)-N-hydroxy-1-phenylpropan-2-amine | | Formula: | C9 H13 N O | | SMILES: | c1ccccc1CC(C)NO | | InChi: | InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1 | | Synonyms: | N-(1-phenylpropan-2-yl)hydroxylamine | | Definition date: | 2018-11-06 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (2R)-N-hydroxy-1-phenylpropan-2-amine |
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 | | EWL | | Name: | 6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one | | Formula: | C16 H19 N5 O2 | | SMILES: | CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1 | | InChi: | InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20) | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 6-azanyl-2-butoxy-9-(phenylmethyl)-7~{H}-purin-8-one |
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 | | EWR | | Name: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid | | Formula: | C25 H29 N O4 S | | SMILES: | CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O | | InChi: | InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1 | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | (2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid |
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 | | EWU | | Name: | 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7H-purin-8-one | | Formula: | C15 H17 N5 O3 | | SMILES: | COCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1 | | InChi: | InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19) | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7~{H}-purin-8-one |
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 | | EWX | | Name: | 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one | | Formula: | C14 H16 N6 O3 | | SMILES: | COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1 | | InChi: | InChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19) | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7~{H}-purin-8-one |
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 | | EX0 | | Name: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine | | Formula: | C26 H29 F N8 O | | SMILES: | CCOc1nc(N)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6 | | InChi: | InChI=1S/C26H29FN8O/c1-3-36-26-31-23(28)22-25(32-26)35(24(30-22)18-8-19(27)11-29-10-18)13-17-6-4-16(5-7-17)12-34-15-20-9-21(34)14-33(20)2/h4-8,10-11,20-21H,3,9,12-15H2,1-2H3,(H2,28,31,32)/t20-,21-/m0/s1 | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine |
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 | | EX3 | | Name: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine | | Formula: | C27 H30 F N7 O | | SMILES: | CCOc1nc(C)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6 | | InChi: | InChI=1S/C27H30FN7O/c1-4-36-27-30-17(2)24-26(32-27)35(25(31-24)20-9-21(28)12-29-11-20)14-19-7-5-18(6-8-19)13-34-16-22-10-23(34)15-33(22)3/h5-9,11-12,22-23H,4,10,13-16H2,1-3H3/t22-,23-/m0/s1 | | Definition date: | 2020-02-13 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine |
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