 | | W3O | | Name: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide | | Formula: | C15 H27 N2 O2 Si | | SMILES: | O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1 | | InChi: | InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1 | | Definition date: | 2023-09-22 | | Last modified: | 2024-06-28 | | Release date: | 2024-07-03 | | Identifier: | 1-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-3-carbamoylpyridin-1-ium |
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 | | VXN | | Name: | 4-chloranylbenzenesulfonic acid | | Formula: | C6 H5 Cl O3 S | | SMILES: | O[S](=O)(=O)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10) | | Definition date: | 2023-04-12 | | Last modified: | 2024-01-19 | | Release date: | 2024-01-24 | | Identifier: | 4-chloranylbenzenesulfonic acid |
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 | | KZU | | Name: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide | | Formula: | C24 H27 N7 O3 S2 | | SMILES: | COCCn1cc(COc2cccc(Cc3sc(NC(=O)CSc4nc(C)cc(C)n4)nc3)c2)nn1 | | InChi: | InChI=1S/C24H27N7O3S2/c1-16-9-17(2)27-24(26-16)35-15-22(32)28-23-25-12-21(36-23)11-18-5-4-6-20(10-18)34-14-19-13-31(30-29-19)7-8-33-3/h4-6,9-10,12-13H,7-8,11,14-15H2,1-3H3,(H,25,28,32) | | Synonyms: | triazole-based sirtuin-rearranging ligand (SirReal) | | Definition date: | 2022-06-08 | | Last modified: | 2023-11-10 | | Release date: | 2023-11-15 | | Identifier: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide |
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 | | L3I | | Name: | 2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide | | Formula: | C16 H17 Cl N2 O | | SMILES: | O=C(Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1 | | InChi: | InChI=1S/C16H17ClN2O/c1-11-7-8-18-10-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12/h4-10H,1-3H3,(H,19,20) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
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 | | OUF | | Name: | N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea | | Formula: | C22 H27 N3 O4 | | SMILES: | O=C1c2ccccc2C(=CN1C)NC(=O)N(CCCOC(C)C)Cc1ccco1 | | InChi: | InChI=1S/C22H27N3O4/c1-16(2)28-13-7-11-25(14-17-8-6-12-29-17)22(27)23-20-15-24(3)21(26)19-10-5-4-9-18(19)20/h4-6,8-10,12,15-16H,7,11,13-14H2,1-3H3,(H,23,27) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea |
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 | | QBF | | Name: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol | | Formula: | C11 H16 O4 | | SMILES: | COc1cc(CCCO)cc(OC)c1O | | InChi: | InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3 | | Synonyms: | propanol syringol | | Definition date: | 2022-10-18 | | Last modified: | 2023-10-20 | | Release date: | 2023-10-25 | | Identifier: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol |
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 | | VJL | | Name: | Co-linked Tetra-amido macrocyclic ligand | | Formula: | C29 H37 Co N7 O6 S | | SMILES: | CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Co]234)C(=O)NCCCC[CH]6SC[CH]7NC(=O)N[CH]67 | | InChi: | InChI=1S/C29H41N7O6S.Co/c1-27(2)22(38)35-28(3,4)24(40)31-16-11-10-15(13-17(16)32-25(41)29(5,6)36-23(27)39)21(37)30-12-8-7-9-19-20-18(14-43-19)33-26(42)34-20 | | Definition date: | 2023-03-09 | | Last modified: | 2023-10-13 | | Release date: | 2023-10-18 |
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 | | 9TN | | Name: | DEBUTANOYL THAPSIGARGIN | | Formula: | C30 H44 O11 | | SMILES: | CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](O)C[C](C)(OC(C)=O)[CH]12)C | | InChi: | InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9+/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1 | | Definition date: | 2011-04-11 | | Last modified: | 2023-09-23 | | Identifier: | [(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{E})-2-methylbut-2-enoyl]oxy-3,3~{a},4-tris(oxidanyl)-2-oxidanylidene-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate |
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 | | VSR | | Name: | [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(E)-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate | | Formula: | C48 H62 N2 O12 | | SMILES: | CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCCCc4ccc(cc4)N=Nc5ccccc5)C | | InChi: | InChI=1S/C48H62N2O12/c1-8-10-11-12-18-24-38(53)59-42-40-39(31(4)41(42)60-44(54)30(3)9-2)43-48(57,47(7,56)45(55)61-43)36(29-46(40,6)62-32(5)51)58-37(52)23-19-13-15-20-33-25-27-35(28-26-33)50-49-34-21-16-14-17-22-34/h9,14,16-17,21-22,25-28,36,40-43,56-57H,8,10-13,15,18-20,23-24,29H2,1-7H3/b30-9-,50-49+/t36-,40+,41-,42-,43-,46-,47+,48+/m0/s1 | | Synonyms: | photoswitch-thapsigargin derivative AzTG-6 | | Definition date: | 2023-03-31 | | Last modified: | 2023-06-16 | | Release date: | 2023-06-21 | | Identifier: | [(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{Z})-2-methylbut-2-enoyl]oxy-3,3~{a}-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(~{E})-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate |
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 | | VUK | | Name: | [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(E)-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate | | Formula: | C46 H58 N2 O12 | | SMILES: | CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCc4ccc(cc4)N=Nc5ccccc5)C | | InChi: | InChI=1S/C46H58N2O12/c1-8-10-11-12-16-21-36(51)57-40-38-37(29(4)39(40)58-42(52)28(3)9-2)41-46(55,45(7,54)43(53)59-41)34(27-44(38,6)60-30(5)49)56-35(50)22-17-18-31-23-25-33(26-24-31)48-47-32-19-14-13-15-20-32/h9,13-15,19-20,23-26,34,38-41,54-55H,8,10-12,16-18,21-22,27H2,1-7H3/b28-9-,48-47+/t34-,38+,39-,40-,41-,44-,45+,46+/m0/s1 | | Synonyms: | photoswitch-thapsigargin derivative AzTG-4 | | Definition date: | 2023-04-05 | | Last modified: | 2023-06-16 | | Release date: | 2023-06-21 | | Identifier: | [(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{Z})-2-methylbut-2-enoyl]oxy-3,3~{a}-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(~{E})-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate |
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 | | JCA | | Name: | N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Formula: | C27 H30 N8 O S | | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3 | | InChi: | InChI=1S/C27H30N8OS/c1-18-3-8-21(15-22(18)31-27-32-23(17-37-27)25-29-10-9-24(28)33-25)30-26(36)20-6-4-19(5-7-20)16-35-13-11-34(2)12-14-35/h3-10,15,17H,11-14,16H2,1-2H3,(H,30,36)(H,31,32)(H2,28,29,33) | | Definition date: | 2022-04-25 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | ~{N}-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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 | | IL7 | | Name: | 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide | | Formula: | C34 H44 Cl N3 O3 Si | | SMILES: | CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 | | InChi: | InChI=1S/C34H44ClN3O3Si/c1-24-21-25(34(39)38-16-18-41-20-19-40-17-8-6-5-7-15-35)9-12-28(24)33-29-13-10-26(36)22-31(29)42(3,4)32-23-27(37-2)11-14-30(32)33/h9-14,21-23H,5-8,15-20,36H2,1-4H3,(H,38,39)/b37-27+ | | Synonyms: | HaloTag with Me-TRaQ-G ligand | | Definition date: | 2022-03-31 | | Last modified: | 2023-01-27 | | Release date: | 2023-02-01 | | Identifier: | 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide |
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 | | ILJ | | Name: | (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium | | Formula: | C34 H43 Cl N3 O5 Si | | SMILES: | C[NH+]=C1C=CC2=C(c3cc(ccc3C(O)=O)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 | | InChi: | InChI=1S/C34H42ClN3O5Si/c1-37-25-10-13-28-31(22-25)44(2,3)30-21-24(36)9-12-27(30)32(28)29-20-23(8-11-26(29)34(40)41)33(39)38-15-17-43-19-18-42-16-7-5-4-6-14-35/h8-13,20-22H,4-7,14-19,36H2,1-3H3,(H,38,39)(H,40,41)/p+1/b37-25+ | | Synonyms: | HaloTag with TRaQ-G-ctrl ligand | | Definition date: | 2022-03-31 | | Last modified: | 2023-01-27 | | Release date: | 2023-02-01 | | Identifier: | (~{E})-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium |
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 | | U9P | | Name: | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide | | Formula: | C23 H26 N8 O2 | | SMILES: | CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC | | InChi: | InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1 | | Definition date: | 2022-08-12 | | Last modified: | 2022-11-18 | | Release date: | 2022-11-23 | | Identifier: | (5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide |
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 | | WYI | | Name: | (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate | | Formula: | C27 H36 N10 O3 | | SMILES: | CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)N1CC(CN)OCC1)c1ccccc1 | | InChi: | InChI=1S/C27H36N10O3/c1-27(2,3)21-12-22(35-36(21)4)31-23-19-14-29-34-24(19)33-25(32-23)30-20(17-8-6-5-7-9-17)16-40-26(38)37-10-11-39-18(13-28)15-37/h5-9,12,14,18,20H,10-11,13,15-16,28H2,1-4H3,(H3,29,30,31,32,33,34,35)/t18-,20+/m1/s1 | | Definition date: | 2022-10-24 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate |
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 | | W8F | | Name: | 1-(3-methoxy-4-methylphenyl)methanamine | | Formula: | C9 H13 N O | | SMILES: | Cc1ccc(cc1OC)CN | | InChi: | InChI=1S/C9H13NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,6,10H2,1-2H3 | | Definition date: | 2022-09-02 | | Last modified: | 2022-10-28 | | Release date: | 2022-11-02 | | Identifier: | 1-(3-methoxy-4-methylphenyl)methanamine |
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 | | 8ZF | | Name: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one | | Formula: | C24 H27 F2 N5 O4 | | SMILES: | CCN1C(=O)N(Cc2cnc3[nH]c(CN4CCOCC4)cc3c12)c5c(F)c(OC)cc(OC)c5F | | InChi: | InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28) | | Synonyms: | Pemigatinib | | Definition date: | 2021-12-28 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one |
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 | | ZOY | | Name: | N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide | | Formula: | C21 H35 N3 O2 | | SMILES: | NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1 | | InChi: | InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1 | | Definition date: | 2021-05-18 | | Last modified: | 2022-03-25 | | Release date: | 2022-03-30 | | Identifier: | N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide |
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 | | VFD | | Name: | Olodanrigan | | Formula: | C32 H29 N O5 | | SMILES: | N3(C(=O)C(c1ccccc1)c2ccccc2)Cc4c(CC3C(O)=O)c(c(cc4)OC)OCc5ccccc5 | | InChi: | InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1 | | Synonyms: | EMA401 | | Definition date: | 2020-08-06 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (3S)-5-(benzyloxy)-2-(diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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 | | H6R | | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide | | Formula: | C21 H23 N3 O4 | | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC#C)NC(=O)C=Cc2ccccc2 | | InChi: | InChI=1S/C21H23N3O4/c1-2-6-18(24-19(26)10-9-15-7-4-3-5-8-15)21(28)23-17(14-25)13-16-11-12-22-20(16)27/h1,3-5,7-10,14,16-18H,6,11-13H2,(H,22,27)(H,23,28)(H,24,26)/b10-9+/t16-,17-,18-/m0/s1 | | Definition date: | 2020-11-19 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide |
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 | | B6C | | Name: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide | | Formula: | C18 H16 Cl2 N4 O2 | | SMILES: | c1(c(c(Cl)cc(c1)c2c(C)nnc2C)Nc3ccccc3C(NO)=O)Cl | | InChi: | InChI=1S/C18H16Cl2N4O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25) | | Definition date: | 2019-01-17 | | Last modified: | 2021-07-16 | | Release date: | 2021-07-21 | | Identifier: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide |
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 | | GGF | | Name: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one | | Formula: | C20 H22 F2 N10 O12 P2 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)NC(=Nc67)N | | InChi: | InChI=1S/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t5-,6-,7-,8-,11-,12-,17-,18-/m1/s1 | | Definition date: | 2020-03-20 | | Last modified: | 2021-03-26 | | Release date: | 2021-03-31 | | Identifier: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one |
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 | | S3Q | | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine | | Formula: | C20 H20 F3 N3 O2 | | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)C(F)(F)F)c2cc1OC | | InChi: | InChI=1S/C20H20F3N3O2/c1-11(13-6-5-7-14(8-13)20(21,22)23)24-19-15-9-17(27-3)18(28-4)10-16(15)25-12(2)26-19/h5-11H,1-4H3,(H,24,25,26)/t11-/m1/s1 | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-19 | | Release date: | 2021-03-24 | | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine |
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 | | IGA | | Name: | 6-amino-3,7-dihydro-2H-purin-2-one | | Formula: | C5 H5 N5 O | | SMILES: | O=C2N=C(c1c(ncn1)N2)N | | InChi: | InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) | | Synonyms: | Isoguanine | | Definition date: | 2011-04-28 | | Last modified: | 2021-03-01 | | Identifier: | 6-amino-3,7-dihydro-2H-purin-2-one |
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 | | EGT | | Name: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL | | Formula: | C15 H14 O7 | | SMILES: | Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O | | InChi: | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1 | | Synonyms: | EPIGALLOCATECHIN | | Definition date: | 2001-08-14 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
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