 | | 8B2 | | Name: | (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine | | Formula: | C12 H18 N2 O | | SMILES: | CC(N)c1ccc(cc1)N1CCOCC1 | | InChi: | InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine |
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 | | 8BI | | Name: | (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine | | Formula: | C12 H21 N3 | | SMILES: | CC1(C)CC(NCc2cc[NH]n2)C(C)C1 | | InChi: | InChI=1S/C12H21N3/c1-9-6-12(2,3)7-11(9)13-8-10-4-5-14-15-10/h4-5,9,11,13H,6-8H2,1-3H3,(H,14,15)/t9-,11-/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine |
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 | | 8C2 | | Name: | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine | | Formula: | C12 H21 N3 | | SMILES: | Cc1n[NH]c(C)c1CNC1CCCCC1 | | InChi: | InChI=1S/C12H21N3/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h11,13H,3-8H2,1-2H3,(H,14,15) | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine |
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 | | 8CH | | Name: | methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate | | Formula: | C9 H17 N O4 S | | SMILES: | CC1CCCN(C1C(=O)OC)S(=O)(C)=O | | InChi: | InChI=1S/C9H17NO4S/c1-7-5-4-6-10(15(3,12)13)8(7)9(11)14-2/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | methyl (2S,3R)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate |
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 | | 8CN | | Name: | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one | | Formula: | C9 H18 N2 O | | SMILES: | CC1CCCCN1C(=O)C(C)N | | InChi: | InChI=1S/C9H18N2O/c1-7-5-3-4-6-11(7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3/t7-,8+/m0/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one |
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 | | 8CZ | | Name: | N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide | | Formula: | C11 H16 N2 O S | | SMILES: | O=C(N(C)C(C)C1CC1)c1scnc1C | | InChi: | InChI=1S/C11H16N2OS/c1-7-10(15-6-12-7)11(14)13(3)8(2)9-4-5-9/h6,8-9H,4-5H2,1-3H3/t8-/m0/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide |
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 | | 8D8 | | Name: | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide | | Formula: | C11 H14 N2 O2 | | SMILES: | O=C(NC(C)C1CC1)C1C=CC=NC1=O | | InChi: | InChI=1S/C11H14N2O2/c1-7(8-4-5-8)13-11(15)9-3-2-6-12-10(9)14/h2-3,6-9H,4-5H2,1H3,(H,13,15)/t7-,9?/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide |
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 | | 8DH | | Name: | N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide | | Formula: | C8 H17 N3 O3 S | | SMILES: | O=C1CN(CCN1)S(=O)(=O)N(C)C(C)C | | InChi: | InChI=1S/C8H17N3O3S/c1-7(2)10(3)15(13,14)11-5-4-9-8(12)6-11/h7H,4-6H2,1-3H3,(H,9,12) | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide |
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 | | 6IY | | Name: | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate | | Formula: | C28 H56 N O8 P | | SMILES: | NCCOP(OCC(COC(=O)CCCCCC)OC(CCCCCCCCCCCCCCC)=O)(=O)O | | InChi: | InChI=1S/C28H56NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-28(31)37-26(25-36-38(32,33)35-23-22-29)24-34-27(30)20-18-8-6-4-2/h26H,3-25,29H2,1-2H3,(H,32,33)/t26-/m1/s1 | | Definition date: | 2020-12-17 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate |
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 | | 5VI | | Name: | (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid | | Formula: | C20 H36 N O10 P | | SMILES: | CCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCC=C | | InChi: | InChI=1S/C20H36NO10P/c1-3-5-6-7-8-9-10-12-19(23)31-16(13-28-18(22)11-4-2)14-29-32(26,27)30-15-17(21)20(24)25/h3,16-17H,1,4-15,21H2,2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1 | | Definition date: | 2021-08-24 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (2~{S})-2-azanyl-3-[[(2~{S})-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid |
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 | | 65I | | Name: | (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate | | Formula: | C22 H44 N O8 P | | SMILES: | NCCOP(OCC(COC(=O)CCCCC)OC(=O)CCCCCCCCCC)(O)=O | | InChi: | InChI=1S/C22H44NO8P/c1-3-5-7-8-9-10-11-13-15-22(25)31-20(18-28-21(24)14-12-6-4-2)19-30-32(26,27)29-17-16-23/h20H,3-19,23H2,1-2H3,(H,26,27)/t20-/m1/s1 | | Definition date: | 2020-12-18 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate |
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 | | 4Y4 | | Name: | 1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one | | Formula: | C21 H27 N O3 | | SMILES: | CCCNC[CH](O)COc1ccccc1C(=O)CCc2ccccc2 | | InChi: | InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m1/s1 | | Definition date: | 2021-08-10 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 1-[2-[(2~{R})-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one |
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 | | ZJS | | Name: | N-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate) | | Formula: | C15 H22 N5 O7 P | | SMILES: | C/C(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O | | InChi: | InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | N-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate) |
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 | | ZKP | | Name: | FE3-S4 methylated cluster | | Formula: | C H3 Fe3 S4 | | SMILES: | CS[Fe]1S[Fe]S[Fe]S1 | | InChi: | InChI=1S/CH3S.3Fe.3S/c1-2 | | Definition date: | 2021-05-01 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 |
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 | | ZL5 | | Name: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole | | Formula: | C18 H14 F4 N6 | | SMILES: | Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C)c23)nn1 | | InChi: | InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3 | | Definition date: | 2021-07-21 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole |
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 | | YXG | | Name: | Milvexian | | Formula: | C28 H23 Cl2 F2 N9 O2 | | SMILES: | Clc1cn(nn1)c1ccc(Cl)cc1C=1N=CN(C(=O)C=1)C1CCCC(C)C(=O)Nc2cnn(C(F)F)c2c2cc1ncc2 | | InChi: | InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1 | | Synonyms: | BMS-986177 | | Definition date: | 2021-04-05 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | (6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11-(metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one |
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 | | Y6Y | | Name: | 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine | | Formula: | C27 H28 N4 O3 S2 | | SMILES: | Cc1cc(OCc2nnc(SC3CCCC3)n2c4cccnc4)ccc1c5ccc(cc5)[S](C)(=O)=O | | InChi: | InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3 | | Definition date: | 2021-02-08 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine |
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 | | UXT | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C33 H43 N7 O | | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3 | | InChi: | InChI=1S/C33H43N7O/c1-32(2)12-16-38(17-13-32)22-27-8-10-28(11-9-27)40-23-31(41)37-33(24-40)14-18-39(19-15-33)30-20-29(35-25-36-30)34-21-26-6-4-3-5-7-26/h3-11,20,25H,12-19,21-24H2,1-2H3,(H,37,41)(H,34,35,36) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UXZ | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C27 H39 N7 O | | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4 | | InChi: | InChI=1S/C27H39N7O/c1-26(2)8-12-32(13-9-26)17-21-4-6-22(7-5-21)34-18-25(35)31-27(19-34)10-14-33(15-11-27)24-16-23(28-3)29-20-30-24/h4-7,16,20H,8-15,17-19H2,1-3H3,(H,31,35)(H,28,29,30) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UY2 | | Name: | 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one | | Formula: | C26 H37 N7 O | | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(C(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4 | | InChi: | InChI=1S/C26H37N7O/c1-25(2)8-12-31(13-9-25)17-20-4-6-21(7-5-20)33-18-26(30-24(33)34)10-14-32(15-11-26)23-16-22(27-3)28-19-29-23/h4-7,16,19H,8-15,17-18H2,1-3H3,(H,30,34)(H,27,28,29) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one |
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 | | UY5 | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C29 H43 N7 O | | SMILES: | CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4 | | InChi: | InChI=1S/C29H43N7O/c1-22(2)32-25-17-26(31-21-30-25)35-15-11-29(12-16-35)20-36(19-27(37)33-29)24-7-5-23(6-8-24)18-34-13-9-28(3,4)10-14-34/h5-8,17,21-22H,9-16,18-20H2,1-4H3,(H,33,37)(H,30,31,32) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UYZ | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C28 H37 N7 O | | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5ncnc6[nH]ccc56)C3 | | InChi: | InChI=1S/C28H37N7O/c1-27(2)8-13-33(14-9-27)17-21-3-5-22(6-4-21)35-18-24(36)32-28(19-35)10-15-34(16-11-28)26-23-7-12-29-25(23)30-20-31-26/h3-7,12,20H,8-11,13-19H2,1-2H3,(H,32,36)(H,29,30,31) | | Synonyms: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one | | Definition date: | 2021-03-30 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UZ2 | | Name: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C28 H41 N7 O | | SMILES: | CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3C)c4ccc(CN5CCC(C)(C)CC5)cc4 | | InChi: | InChI=1S/C28H41N7O/c1-27(2)9-13-33(14-10-27)18-22-5-7-23(8-6-22)35-19-26(36)32(4)28(20-35)11-15-34(16-12-28)25-17-24(29-3)30-21-31-25/h5-8,17,21H,9-16,18-20H2,1-4H3,(H,29,30,31) | | Definition date: | 2021-03-30 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | UZB | | Name: | 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one | | Formula: | C28 H36 Cl N7 O | | SMILES: | CC1(C)CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(CCN(CC4)c5nc(Cl)nc6[nH]ccc56)C3 | | InChi: | InChI=1S/C28H36ClN7O/c1-27(2)8-13-34(14-9-27)17-20-3-5-21(6-4-20)36-18-23(37)33-28(19-36)10-15-35(16-11-28)25-22-7-12-30-24(22)31-26(29)32-25/h3-7,12H,8-11,13-19H2,1-2H3,(H,33,37)(H,30,31,32) | | Definition date: | 2021-03-30 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one |
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 | | VJZ | | Name: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine | | Formula: | C23 H23 N7 O | | SMILES: | CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5cnn(C)c5C | | InChi: | InChI=1S/C23H23N7O/c1-15-11-18(20-12-25-29(4)16(20)2)6-7-19(15)22-26-27-23(31-22)28(3)13-17-5-8-21-24-9-10-30(21)14-17/h5-12,14H,13H2,1-4H3 | | Definition date: | 2021-05-20 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine |
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