 | BBO | 表記: | 2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | 組成式: | C19 H20 N2 O3 | SMILES: | c1c3c4c(cc1)cccc4C(=O)N(CCCN2CCOCC2)C3=O | InChi: | InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2 | 定義日: | 2019-01-31 | 最終更新日: | 2019-05-10 | 公開日: | 2019-05-15 | 識別子(ID): | 2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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 | BC0 | 表記: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine | 組成式: | C20 H19 Cl N4 S2 | SMILES: | N4(C=Cc3c1c(nc(nc1NCC=C)SCc2ccc(cc2)Cl)sc3C4)C | InChi: | InChI=1S/C20H19ClN4S2/c1-3-9-22-18-17-15-8-10-25(2)11-16(15)27-19(17)24-20(23-18)26-12-13-4-6-14(21)7-5-13/h3-8,10H,1,9,11-12H2,2H3,(H,22,23,24) | 定義日: | 2019-01-31 | 最終更新日: | 2019-05-10 | 公開日: | 2019-05-15 | 識別子(ID): | 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine |
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 | AWC | 表記: | 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine | 組成式: | C13 H15 N2 O7 P Se | SMILES: | P(OCC1OC(CC1O)N2C(=O)NC(=O)C(=C2)c3[se]ccc3)(O)=O | InChi: | InChI=1S/C13H15N2O7PSe/c16-8-4-11(22-9(8)6-21-23(19)20)15-5-7(10-2-1-3-24-10)12(17)14-13(15)18/h1-3,5,8-9,11,16,23H,4,6H2,(H,19,20)(H,14,17,18)/t8-,9+,11+/m0/s1 | 定義日: | 2018-11-28 | 最終更新日: | 2019-05-10 | 公開日: | 2019-05-15 | 識別子(ID): | 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine |
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 | F8Z | 表記: | 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea | 組成式: | C32 H38 N4 O7 | SMILES: | COc1ccc(NC(=O)Nc2ccc3O[CH](CN(C)Cc4ccc5OCOc5c4)[CH](C)CN([CH](C)CO)C(=O)c3c2)cc1 | InChi: | InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30-/m0/s1 | 定義日: | 2018-06-10 | 最終更新日: | 2019-05-10 | 公開日: | 2019-05-15 | 識別子(ID): | 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea |
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 | 75F | 表記: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one | 組成式: | C20 H23 N3 O | SMILES: | CCC2(C1C(CC(CC1=Nc3nncc23)(C)C)=O)c4ccccc4 | InChi: | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12,17H,4,10-11H2,1-3H3,(H,21,23)/t17-,20-/m0/s1 | 定義日: | 2016-08-26 | 最終更新日: | 2019-05-08 | 公開日: | 2018-02-21 | 識別子(ID): | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
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 | ZZD | 表記: | S-TRITYL-L-CYSTEINE | 組成式: | C22 H21 N O2 S | SMILES: | O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1 | 定義日: | 2009-07-23 | 最終更新日: | 2019-05-07 | 識別子(ID): | S-trityl-L-cysteine |
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 | 45A | 表記: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine | 組成式: | C11 H16 N5 O6 P | SMILES: | O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C | InChi: | InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | 定義日: | 2015-02-09 | 最終更新日: | 2019-05-07 | 公開日: | 2015-11-18 | 識別子(ID): | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine |
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 | 9DN | 表記: | DANSYL-L-ASPARAGINE | 組成式: | C16 H19 N3 O5 S | SMILES: | O=C(N)CC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C | InChi: | InChI=1S/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1 | 定義日: | 2010-10-28 | 最終更新日: | 2019-05-07 | 識別子(ID): | N~2~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-asparagine |
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 | 8PY | 表記: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C28 H25 N6 O8 P | SMILES: | CC(=O)N(c1cc2ccc3cccc4ccc(c1)c2c34)c5nc6C(=O)NC(=Nc6n5[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O7)N | InChi: | InChI=1S/C28H25N6O8P/c1-13(35)33(18-9-16-7-5-14-3-2-4-15-6-8-17(10-18)23(16)22(14)15)28-30-24-25(31-27(29)32-26(24)37)34(28)21-11-19(36)20(42-21)12-41-43(38,39)40/h2-10,19-21,36H,11-12H2,1H3,(H2,38,39,40)(H3,29,31,32,37)/t19-,20+,21+/m0/s1 | 定義日: | 2016-04-22 | 最終更新日: | 2019-05-07 | 公開日: | 2016-06-01 | 識別子(ID): | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | 8YN | 表記: | Pseudoisocytidine | 組成式: | C9 H14 N3 O7 P | SMILES: | NC1=NC=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1 | InChi: | InChI=1S/C9H14N3O7P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(19-6)3-18-20(15,16)17/h2,5-7,13H,1,3H2,(H2,15,16,17)(H3,10,11,12,14)/t5-,6+,7+/m0/s1 | 定義日: | 2017-03-27 | 最終更新日: | 2019-05-07 | 公開日: | 2017-06-28 | 識別子(ID): | [(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | TCJ | 表記: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate | 組成式: | C13 H18 N3 O7 P | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)N=C1N | InChi: | InChI=1S/C13H18N3O7P/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H2,14,15,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1 | 定義日: | 2018-03-12 | 最終更新日: | 2019-05-06 | 公開日: | 2018-06-06 | 識別子(ID): | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
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 | N79 | 表記: | [(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | 組成式: | C17 H18 B N5 O8 P | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6ccccc56)O[CH]34 | InChi: | InChI=1S/C17H18BN5O8P/c19-15-12-16(21-7-20-15)23(8-22-12)17-14-13(11(29-17)6-28-32(24,25)26)30-18(31-14)10-4-2-1-3-9(10)5-27-18/h1-4,7-8,11,13-14,17H,5-6H2,(H2,19,20,21)(H2,24,25,26)/q-1/t11-,13-,14-,17-,18+/m1/s1 | 定義日: | 2012-04-24 | 最終更新日: | 2019-05-06 | 識別子(ID): | [(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
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 | B8H | 表記: | [(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C10 H15 N2 O9 P | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O | InChi: | InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-05-06 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | B8K | 表記: | 7-acetyl, guanosine-5'-monophosphate | 組成式: | C12 H18 N5 O9 P | SMILES: | CC(=O)N1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N | InChi: | InChI=1S/C12H18N5O9P/c1-4(18)16-3-17(9-6(16)10(21)15-12(13)14-9)11-8(20)7(19)5(26-11)2-25-27(22,23)24/h5,7-8,11,19-20H,2-3H2,1H3,(H2,22,23,24)(H3,13,14,15,21)/t5-,7-,8-,11-/m1/s1 | 定義日: | 2017-09-25 | 最終更新日: | 2019-05-06 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | B9H | 表記: | 2'-methyl, 3-propyl, cytidine-5'-monophosphate | 組成式: | C13 H24 N3 O8 P | SMILES: | CCCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC)C1=O | InChi: | InChI=1S/C13H24N3O8P/c1-3-5-15-9(14)4-6-16(13(15)18)12-11(22-2)10(17)8(24-12)7-23-25(19,20)21/h4,6,8-12,17H,3,5,7,14H2,1-2H3,(H2,19,20,21)/t8-,9-,10-,11-,12-/m1/s1 | 定義日: | 2017-09-26 | 最終更新日: | 2019-05-06 | 公開日: | 2018-01-24 | 識別子(ID): | [(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3-propyl-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | EAN | 表記: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate | 組成式: | C13 H17 N2 O8 P | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)NC1=O | InChi: | InChI=1S/C13H17N2O8P/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1 | 定義日: | 2018-03-12 | 最終更新日: | 2019-05-06 | 公開日: | 2018-06-06 | 識別子(ID): | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
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 | F4Q | 表記: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate | 組成式: | C13 H16 N5 O7 P | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O[P](O)(O)=O)[CH]4O3 | InChi: | InChI=1S/C13H16N5O7P/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,10(12)24-6)25-26(21,22)23/h4-6,10,20H,1-3H2,(H2,21,22,23)(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1 | 定義日: | 2018-05-30 | 最終更新日: | 2019-05-06 | 公開日: | 2018-06-06 | 識別子(ID): | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
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 | F7H | 表記: | 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one | 組成式: | C13 H17 N3 O4 | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N | InChi: | InChI=1S/C13H17N3O4/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H2,14,15,17)/t7-,8-,10+,12+,13-/m1/s1 | 定義日: | 2018-06-06 | 最終更新日: | 2019-05-06 | 公開日: | 2018-06-13 | 識別子(ID): | 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one |
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 | F7K | 表記: | 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one | 組成式: | C13 H15 N5 O4 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O)[CH]4O3 | InChi: | InChI=1S/C13H15N5O4/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,21)10(12)22-6/h4-6,10,20-21H,1-3H2,(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1 | 定義日: | 2018-06-07 | 最終更新日: | 2019-05-06 | 公開日: | 2018-06-13 | 識別子(ID): | 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one |
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 | FFH | 表記: | 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide | 組成式: | C29 H45 N5 O10 S | SMILES: | NCOCCOCCOCCOCCOCCC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1 | InChi: | InChI=1S/C29H45N5O10S/c30-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-11-28(35)32-12-1-2-13-44-26-7-3-24(4-8-26)33-29(36)34-25-5-9-27(10-6-25)45(31,37)38/h3-10H,1-2,11-23,30H2,(H,32,35)(H2,31,37,38)(H2,33,34,36) | 定義日: | 2018-06-27 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide |
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 | FFW | 表記: | 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one | 組成式: | C20 H16 Cl N3 O4 | SMILES: | COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4ccc(Cl)cc4 | InChi: | InChI=1S/C20H16ClN3O4/c1-11-15(10-17-19(25)23-28-22-17)16-9-14(27-2)7-8-18(16)24(11)20(26)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,23,25) | 定義日: | 2018-06-27 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one |
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 | G3S | 表記: | 4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid | 組成式: | C22 H23 N O4 S | SMILES: | C(c1ccc(C(O)=O)cc1)CSc3ccc2c(C(C(=O)N2CCCCC)=O)c3 | InChi: | InChI=1S/C22H23NO4S/c1-2-3-4-12-23-19-10-9-17(14-18(19)20(24)21(23)25)28-13-11-15-5-7-16(8-6-15)22(26)27/h5-10,14H,2-4,11-13H2,1H3,(H,26,27) | 定義日: | 2018-05-04 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid |
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 | GFE | 表記: | 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine | 組成式: | C11 H13 Cl2 N5 | SMILES: | CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2 | InChi: | InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17) | 定義日: | 2018-09-17 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
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 | GJQ | 表記: | (2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine | 組成式: | C15 H12 Cl2 N6 O2 | SMILES: | NC1=N[CH](N(C(=N1)N)c2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+]([O-])=O | InChi: | InChI=1S/C15H12Cl2N6O2/c16-11-6-5-10(7-12(11)17)22-13(20-14(18)21-15(22)19)8-1-3-9(4-2-8)23(24)25/h1-7,13H,(H4,18,19,20,21)/t13-/m1/s1 | 定義日: | 2018-09-18 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | (2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine |
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 | KR4 | 表記: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol | 組成式: | C19 H19 Cl N4 O | SMILES: | c2(nc(CC)nc(c1cc(Cl)ccc1)n2)Nc3ccc(cc3)CCO | InChi: | InChI=1S/C19H19ClN4O/c1-2-17-22-18(14-4-3-5-15(20)12-14)24-19(23-17)21-16-8-6-13(7-9-16)10-11-25/h3-9,12,25H,2,10-11H2,1H3,(H,21,22,23,24) | 定義日: | 2019-01-08 | 最終更新日: | 2019-05-03 | 公開日: | 2019-05-08 | 識別子(ID): | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol |
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