 | | 9I2 | | 表記: | 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol | | 組成式: | C19 H21 F N4 O2 | | SMILES: | CCc1cc(O)c(F)cc1c2cc(N[CH](C)CO)c3nc(N)ncc3c2 | | InChi: | InChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-8-22-19(21)24-18(13)16(5-12)23-10(2)9-25/h4-8,10,23,25-26H,3,9H2,1-2H3,(H2,21,22,24)/t10-/m0/s1 | | 定義日: | 2021-11-11 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-02-02 | | 識別子（ID）: | 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol |
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 | | 9I5 | | 表記: | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol | | 組成式: | C15 H13 N3 O2 | | SMILES: | COc1cc(cc2cnc(N)nc12)c3ccc(O)cc3 | | InChi: | InChI=1S/C15H13N3O2/c1-20-13-7-10(9-2-4-12(19)5-3-9)6-11-8-17-15(16)18-14(11)13/h2-8,19H,1H3,(H2,16,17,18) | | 定義日: | 2021-11-11 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-02-02 | | 識別子（ID）: | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol |
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 | | 9I8 | | 表記: | 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol | | 組成式: | C19 H17 N5 O2 | | SMILES: | COc1cc(cc2cnc(Nc3cnn(C)c3)nc12)c4ccc(O)cc4 | | InChi: | InChI=1S/C19H17N5O2/c1-24-11-15(10-21-24)22-19-20-9-14-7-13(8-17(26-2)18(14)23-19)12-3-5-16(25)6-4-12/h3-11,25H,1-2H3,(H,20,22,23) | | 定義日: | 2021-11-11 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-02-02 | | 識別子（ID）: | 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol |
|
 | | 9IB | | 表記: | 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid | | 組成式: | C30 H34 N4 O8 S | | SMILES: | CN(C)C(=O)[CH]1CSCc2c(cccc2c3cccc(c3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1 | | InChi: | InChI=1S/C30H34N4O8S/c1-17(35)34-12-6-11-25(34)27(37)31-23-14-42-30(41)21-10-5-9-20(18-7-4-8-19(13-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4-5,7-10,13,23-25H,6,11-12,14-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1 | | 定義日: | 2021-11-11 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-16 | | 識別子（ID）: | 3-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid |
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 | | 9IE | | 表記: | 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | | 組成式: | C20 H18 Cl N5 O2 | | SMILES: | C[CH]1CCOC2=C(N1)c3cc(Nc4ccnc(Cl)c4C#N)ccc3N(C)C2=O | | InChi: | InChI=1S/C20H18ClN5O2/c1-11-6-8-28-18-17(24-11)13-9-12(3-4-16(13)26(2)20(18)27)25-15-5-7-23-19(21)14(15)10-22/h3-5,7,9,11,24H,6,8H2,1-2H3,(H,23,25)/t11-/m0/s1 | | 定義日: | 2021-11-12 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-06-15 | | 識別子（ID）: | 2-chloranyl-4-[[(2~{S})-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile |
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 | | 9IH | | 表記: | 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | | 組成式: | C22 H18 Cl F2 N5 O2 | | SMILES: | CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(Cl)c5C#N)ccc14 | | InChi: | InChI=1S/C22H18ClF2N5O2/c1-30-16-5-4-12(28-15-6-7-27-20(23)14(15)9-26)8-13(16)17-18(21(30)31)32-10-22(24,25)19(29-17)11-2-3-11/h4-8,11,19,29H,2-3,10H2,1H3,(H,27,28)/t19-/m0/s1 | | 定義日: | 2021-11-12 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-06-15 | | 識別子（ID）: | 2-chloranyl-4-[[(2~{S})-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile |
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 | | 9IK | | 表記: | ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | 組成式: | C18 H14 N4 O | | SMILES: | [nH]1ccc2c1ncnc2Nc3ccc(Oc4ccccc4)cc3 | | InChi: | InChI=1S/C18H14N4O/c1-2-4-14(5-3-1)23-15-8-6-13(7-9-15)22-18-16-10-11-19-17(16)20-12-21-18/h1-12H,(H2,19,20,21,22) | | 定義日: | 2021-11-12 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-09 | | 識別子（ID）: | ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | 9IO | | 表記: | ~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | 組成式: | C13 H12 N4 O | | SMILES: | COc1ccc(Nc2ncnc3[nH]ccc23)cc1 | | InChi: | InChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H2,14,15,16,17) | | 定義日: | 2021-11-12 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-09 | | 識別子（ID）: | ~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | 9IS | | 表記: | ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | 組成式: | C19 H16 N4 O2 | | SMILES: | COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 | | InChi: | InChI=1S/C19H16N4O2/c1-24-14-6-8-16(9-7-14)25-15-4-2-13(3-5-15)23-19-17-10-11-20-18(17)21-12-22-19/h2-12H,1H3,(H2,20,21,22,23) | | 定義日: | 2021-11-12 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-09 | | 識別子（ID）: | ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | 9IV | | 表記: | ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | 組成式: | C18 H13 Cl N4 O | | SMILES: | Clc1ccccc1Oc2ccc(Nc3ncnc4[nH]ccc34)cc2 | | InChi: | InChI=1S/C18H13ClN4O/c19-15-3-1-2-4-16(15)24-13-7-5-12(6-8-13)23-18-14-9-10-20-17(14)21-11-22-18/h1-11H,(H2,20,21,22,23) | | 定義日: | 2021-11-12 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-09 | | 識別子（ID）: | ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | 9IY | | 表記: | [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate | | 組成式: | C25 H27 N2 O10 P S | | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)c2ccc(CNC(=O)Nc3ccc(cc3)[S](=O)(=O)c4ccccc4)cc2 | | InChi: | InChI=1S/C25H27N2O10PS/c28-22-21(15-36-38(31,32)33)37-24(23(22)29)17-8-6-16(7-9-17)14-26-25(30)27-18-10-12-20(13-11-18)39(34,35)19-4-2-1-3-5-19/h1-13,21-24,28-29H,14-15H2,(H2,26,27,30)(H2,31,32,33)/t21-,22-,23-,24+/m1/s1 | | 定義日: | 2021-11-15 | | 最終更新日: | 2022-08-22 | | 公開日: | 2021-11-24 | | 識別子（ID）: | [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate |
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 | | 9P0 | | 表記: | 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid | | 組成式: | C30 H34 N4 O8 S | | SMILES: | CN(C)C(=O)[CH]1CSCc2c(cccc2c3ccc(cc3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1 | | InChi: | InChI=1S/C30H34N4O8S/c1-17(35)34-13-5-8-25(34)27(37)31-23-14-42-30(41)21-7-4-6-20(18-9-11-19(12-10-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4,6-7,9-12,23-25H,5,8,13-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1 | | 定義日: | 2021-11-19 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-16 | | 識別子（ID）: | 4-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid |
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 | | IZL | | 表記: | [(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate | | 組成式: | C74 H133 O39 P | | SMILES: | CCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C74H133O39P/c1-5-8-10-12-14-16-21-26-30-47(78)100-36-43-51(82)56(87)64(95)72(108-43)110-66-60(91)58(89)61(92)67(69(66)113-114(97,98)103-35-40(104-48(79)31-27-23-17-15-13-11-9-6-2)34-99-46(77)29-25-22-19-18-20-24-28-39(4)7-3)111-73-65(96)57(88)53(84)45(109-73)37-101-70-62(93)55(86)52(83)44(107-70)38-102-74-68(59(90)50(81)42(33-76)106-74)112-71-63(94)54(85)49(80)41(32-75)105-71/h39-45,49-76,80-96H,5-38H2,1-4H3,(H,97,98)/t39-,40-,41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59+,60-,61+,62+,63+,64+,65+,66-,67-,68+,69-,70+,71-,72-,73-,74+/m1/s1 | | 定義日: | 2022-04-22 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-05-18 | | 識別子（ID）: | [(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate |
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 | | J70 | | 表記: | Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | 組成式: | C24 H24 N6 O4 Pt | | SMILES: | [Pt].NCCNCCN.O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35 | | InChi: | InChI=1S/C20H11N3O4.C4H13N3.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10 | | 定義日: | 2021-04-19 | | 最終更新日: | 2022-08-22 | | 公開日: | 2021-12-15 |
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 | | A6I | | 表記: | N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide | | 組成式: | C25 H32 N4 O6 | | SMILES: | CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NCc2ccc(cc2)C(=O)NO | | InChi: | InChI=1S/C25H32N4O6/c1-16(2)13-21(28-25(33)35-15-19-7-5-4-6-8-19)24(32)27-17(3)22(30)26-14-18-9-11-20(12-10-18)23(31)29-34/h4-12,16-17,21,34H,13-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,33)(H,29,31)/t17-,21-/m0/s1 | | 定義日: | 2019-08-02 | | 最終更新日: | 2022-08-22 | | 公開日: | 2020-02-05 | | 識別子（ID）: | (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-1-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate |
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 | | A6Q | | 表記: | N-(3,4-dihydroxybenzylidene)-thiosemicarbazone | | 組成式: | C10 H13 N3 O2 S | | SMILES: | CCNC(=S)NN=Cc1ccc(O)c(O)c1 | | InChi: | InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-3-4-8(14)9(15)5-7/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+ | | 別名: | 1-[(E)-[3,4-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea | | 定義日: | 2021-11-24 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-16 | | 識別子（ID）: | 1-[(~{E})-[3,4-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea |
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 | | A7L | | 表記: | N-(2,5-dihydroxybenzylidene)-thiosemicarbazone | | 組成式: | C10 H13 N3 O2 S | | SMILES: | CCNC(=S)NN=Cc1cc(O)ccc1O | | InChi: | InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-5-8(14)3-4-9(7)15/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+ | | 別名: | 1-[(E)-[2,5-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea | | 定義日: | 2021-11-24 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-16 | | 識別子（ID）: | 1-[(~{E})-[2,5-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea |
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 | | A9I | | 表記: | Altiratinib | | 組成式: | C26 H21 F3 N4 O4 | | SMILES: | Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3cc(F)c(Oc4ccnc(NC(=O)C5CC5)c4)cc3F)cc1 | | InChi: | InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34) | | 別名: | N-1'-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,5-bis(fluoranyl)phenyl]-N-1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 定義日: | 2021-11-25 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-08-03 | | 識別子（ID）: | ~{N}1'-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,5-bis(fluoranyl)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide |
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 | | AIW | | 表記: | phenylmethaneselenol | | 組成式: | C7 H8 Se | | SMILES: | [SeH]Cc1ccccc1 | | InChi: | InChI=1S/C7H8Se/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 | | 定義日: | 2021-11-26 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-16 | | 識別子（ID）: | phenylmethaneselenol |
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 | | AJ9 | | 表記: | 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one | | 組成式: | C24 H27 N O3 | | SMILES: | CC1=C(C)c2ccc(OCC3CCN(CC3)Cc4ccccc4)cc2OC1=O | | InChi: | InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3 | | 別名: | 7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one | | 定義日: | 2021-11-29 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-04-06 | | 識別子（ID）: | 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one |
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 | | CJI | | 表記: | cis-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II) | | 組成式: | C5 H10 N2 O6 Rh2 | | SMILES: | CC(=O)O[Rh](O)O.O[Rh](O)n1ccnc1 | | InChi: | InChI=1S/C3H3N2.C2H4O2.4H2O.2Rh/c1-2-5-3-4-1 | | 定義日: | 2021-12-14 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-06-08 | | 識別子（ID）: | 1-[5-methyl-2,2,3,3-tetrakis(oxidanyl)-1$l^{3},4-dioxa-2$l^{5},3$l^{4}-dirhodacyclopent-5-en-2-yl]imidazole |
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 | | CQI | | 表記: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | 組成式: | C32 H60 O12 S | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCC | | InChi: | InChI=1S/C32H60O12S/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-20-27(33)41-22-25(43-28(34)21-18-8-6-4-2)23-42-32-31(37)30(36)29(35)26(44-32)24-45(38,39)40/h25-26,29-32,35-37H,3-24H2,1-2H3,(H,38,39,40)/t25-,26-,29-,30+,31-,32+/m1/s1 | | 別名: | sulfoquinovosyl diacylglycerol | | 定義日: | 2021-12-14 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-04-13 | | 識別子（ID）: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-2-heptanoyloxy-3-hexadecanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid |
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 | | 0I6 | | 表記: | 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide | | 組成式: | C18 H23 N O6 S Se Te | | SMILES: | COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC | | InChi: | InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m1/s1 | | 別名: | 4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide | | 定義日: | 2021-06-07 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-06-22 | | 識別子（ID）: | 4-[(2~{R})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide |
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 | | 9SI | | 表記: | [(2R,3S,4R,5R)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | 組成式: | C18 H24 N6 O7 P | | SMILES: | NCc1ccc(C[n+]2cnc3n(cnc3c2N)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O)cc1 | | InChi: | InChI=1S/C18H23N6O7P/c19-5-10-1-3-11(4-2-10)6-23-8-22-17-13(16(23)20)21-9-24(17)18-15(26)14(25)12(31-18)7-30-32(27,28)29/h1-4,8-9,12,14-15,18,20,25-26H,5-7,19H2,(H2,27,28,29)/p+1/t12-,14-,15-,18-/m1/s1 | | 別名: | 1-benzylamine-adenosine | | 定義日: | 2021-11-19 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-23 | | 識別子（ID）: | [(2~{R},3~{S},4~{R},5~{R})-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | 9SY | | 表記: | [(2R,3S,4R,5R)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | 組成式: | C17 H21 N5 O7 P | | SMILES: | Nc1c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2nc[n+]1Cc4ccccc4 | | InChi: | InChI=1S/C17H20N5O7P/c18-15-12-16(20-8-21(15)6-10-4-2-1-3-5-10)22(9-19-12)17-14(24)13(23)11(29-17)7-28-30(25,26)27/h1-5,8-9,11,13-14,17-18,23-24H,6-7H2,(H2,25,26,27)/p+1/t11-,13-,14-,17-/m1/s1 | | 別名: | 1-benzyl-adenosine derivative | | 定義日: | 2021-11-19 | | 最終更新日: | 2022-08-22 | | 公開日: | 2022-03-23 | | 識別子（ID）: | [(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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