 | | STX | | 表記: | 1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE | | 組成式: | C9 H15 N3 O2 | | SMILES: | O=C(c1nnc(o1)C(C)(C)C)CNC | | InChi: | InChI=1S/C9H15N3O2/c1-9(2,3)8-12-11-7(14-8)6(13)5-10-4/h10H,5H2,1-4H3 | | 別名: | 2-SARCOSINYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE | | 定義日: | 2005-04-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone |
|
 | | SU2 | | 表記: | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE | | 組成式: | C20 H21 N3 O2 | | SMILES: | O=C2Nc1ccccc1C2Cc3ccc(cc3)N4CCN(C=O)CC4 | | InChi: | InChI=1S/C20H21N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,14,18H,9-13H2,(H,21,25) | | 別名: | SU4984 | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-(4-{[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)piperazine-1-carbaldehyde |
|
 | | BI1 | | 表記: | 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | | 組成式: | C25 H24 N4 O2 | | SMILES: | O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C)C(=O)N5 | | InChi: | InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | | 別名: | RBT205 INHIBITOR | | 定義日: | 2003-12-16 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione |
|
 | | SU4 | | 表記: | N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide | | 組成式: | C18 H21 N O4 S | | SMILES: | O=S(=O)(N(CC(O)(c1ccccc1)C)C2CC2)c3ccc(O)cc3 | | InChi: | InChI=1S/C18H21NO4S/c1-18(21,14-5-3-2-4-6-14)13-19(15-7-8-15)24(22,23)17-11-9-16(20)10-12-17/h2-6,9-12,15,20-21H,7-8,13H2,1H3/t18-/m0/s1 | | 別名: | HYDROXYBENZENESULFONAMIDE | | 定義日: | 2011-06-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-cyclopropyl-4-hydroxy-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide |
|
 | | BI3 | | 表記: | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | | 組成式: | C23 H20 N4 O2 | | SMILES: | O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5 | | InChi: | InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29) | | 別名: | INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 | | 定義日: | 2003-12-16 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione |
|
 | | SU6 | | 表記: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid | | 組成式: | C18 H18 N2 O3 | | SMILES: | O=C(O)CCc1c(c(nc1C)/C=C3/c2ccccc2NC3=O)C | | InChi: | InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9- | | 別名: | SU6668 | | 定義日: | 2013-04-02 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-06-19 | | 識別子（ID）: | 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid |
|
 | | SU8 | | 表記: | (2R)-2-butylbutanedioic acid | | 組成式: | C8 H14 O4 | | SMILES: | O=C(O)C(CC(=O)O)CCCC | | InChi: | InChI=1S/C8H14O4/c1-2-3-4-6(8(11)12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1 | | 別名: | (2R)-2-butylsuccinic acid | | 定義日: | 2014-07-25 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-08-20 | | 識別子（ID）: | (2R)-2-butylbutanedioic acid |
|
 | | SUE | | 表記: | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di
oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec
ino[11,12-b]quinoxaline-8-carboxamide | | 組成式: | C38 H50 N6 O9 S | | SMILES: | O=S(=O)(NC(=O)C6(NC(=O)C1N2C(=O)C(NC(=O)OC5C(CCCCCc3nc4c(nc3OC(C1)C2)cc(OC)cc4)C5)C(C)(C)C)CC6/C=C)C7CC7 | | InChi: | InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1 | | 別名: | Grazoprevir, MK-5172 | | 定義日: | 2011-08-04 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-09-14 | | 識別子（ID）: | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide |
|
 | | BID | | 表記: | BISTRAMIDE A | | 組成式: | C40 H68 N2 O8 | | SMILES: | O=C(/C=C/C)CC1OC(C(C)CC1)CC(=O)NCC(O)C(C(=O)NCCCC3OC2(OC(CCC2)CCC(C=C(/C)C(O)C)C)CCC3C)C | | InChi: | InChI=1S/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33-,34+,35-,36+,37-,40-/m0/s1 | | 別名: | (2S,3R)-3-HYDROXY-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-HYDROXY-3,5-DIMETHYLHEPT-4-EN-1-YL]-3-METHYL-1,7-DIOXASPIRO[5.5]U
NDEC-2-YL}PROPYL)-2-METHYL-4-[({(2S,3S,6R)-3-METHYL-6-[(3E)-2-OXOPENT-3-EN-1-YL]TETRAHYDRO-2H-PYRAN-2-YL}ACETYL)AMINO]BU
TANAMIDE | | 定義日: | 2006-02-09 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2S,3R)-3-hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethylhept-4-en-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxopent-3-en-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]butanamide |
|
 | | SUG | | 表記: | N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE | | 組成式: | C10 H18 N4 O5 | | SMILES: | O=C(NC(C(=O)O)CCCNC(=[N@H])N)CCC(=O)O | | InChi: | InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1 | | 別名: | N~2~-SUCCINYLARGININE | | 定義日: | 2005-02-04 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N~2~-(3-carboxypropanoyl)-L-arginine |
|
 | | BIH | | 表記: | NAPHTHALENE-2,6-DISULFONIC ACID | | 組成式: | C10 H8 O6 S2 | | SMILES: | O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O | | InChi: | InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16) | | 別名: | 2,6-NAPHTHALENEDISULFONIC ACID | | 定義日: | 2004-08-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | naphthalene-2,6-disulfonic acid |
|
 | | SUN | | 表記: | O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE | | 組成式: | C7 H17 N2 O5 P | | SMILES: | O=P(OCC)(OCC(N)C(=O)O)N(C)C | | InChi: | InChI=1S/C7H17N2O5P/c1-4-13-15(12,9(2)3)14-5-6(8)7(10)11/h6H,4-5,8H2,1-3H3,(H,10,11)/t6-,15+/m0/s1 | | 別名: | TABUN CONJUGATED SERINE | | 定義日: | 2007-01-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | O-[(R)-(dimethylamino)(ethoxy)phosphoryl]-L-serine |
|
 | | SUO | | 表記: | N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE | | 組成式: | C9 H16 N2 O5 | | SMILES: | O=C(NC(C(=O)O)CCCN)CCC(=O)O | | InChi: | InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1 | | 別名: | N~2~-SUCCINYLORNITHINE | | 定義日: | 2005-02-04 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N~2~-(3-carboxypropanoyl)-L-ornithine |
|
 | | BIK | | 表記: | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | | 組成式: | C11 H8 O4 | | SMILES: | O=C(O)c2cc1c(ccc(O)c1)cc2O | | InChi: | InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15) | | 別名: | 3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID | | 定義日: | 2004-08-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3,7-dihydroxynaphthalene-2-carboxylic acid |
|
 | | SUV | | 表記: | [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | | 組成式: | C23 H23 Cl N6 O2 | | SMILES: | O=C(c2cc(ccc2n1nccn1)C)N5C(C)CCN(c3nc4cc(Cl)ccc4o3)CC5 | | InChi: | InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1 | | 別名: | suvorexant | | 定義日: | 2014-10-27 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-12-24 | | 識別子（ID）: | [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone |
|
 | | SUZ | | 表記: | [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | | 組成式: | C20 H17 F O3 S | | SMILES: | O=S(c1ccc(cc1)/C=C3c2ccc(F)cc2C(=C3C)CC(=O)O)C | | InChi: | InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1 | | 別名: | SULINDAC | | 定義日: | 2008-11-18 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid |
|
 | | BJC | | 表記: | (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy
l]cyclohexanecarboxamide | | 組成式: | C35 H51 N3 O3 | | SMILES: | CC(C)c1cccc(CNC[CH](O)[CH](Cc2ccccc2)NC(=O)[CH]3CCC[CH](C3)C(C)(C)N4CCCCC4=O)c1 | | InChi: | InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,30+,31+,32-/m1/s1 | | 別名: | (1R,3S)-3-[1-Methyl-1-(2-oxo-piperidin-1-yl)-ethyl]-cyclohexanecarboxylic acid
[(1S,2R)-1-benzyl-2-hydroxy-3-(3-isopropyl-benzylamino)-propyl]-amide | | 定義日: | 2009-12-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,3S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-3-[2-(2-oxopiperidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide |
|
 | | BJE | | 表記: | 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil | | 組成式: | C9 H10 N2 O5 | | SMILES: | OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O | | InChi: | InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7-,8-/m1/s1 | | 別名: | Anhydrouridine | | 定義日: | 2017-10-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2~{R},4~{R},5~{R},6~{R})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one |
|
 | | BJM | | 表記: | (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad
amantyl]ethanone | | 組成式: | C18 H27 N3 O2 | | SMILES: | N[CH](C(=O)N1[CH](C[CH]2C[CH]12)C=N)C34C[CH]5C[CH](CC(O)(C5)C3)C4 | | InChi: | InChI=1S/C18H27N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h8,10-15,19,23H,1-7,9,20H2/t10-,11+,12-,13+,14+,15-,17+,18-/m1/s1 | | 別名: | Saxagliptin, bound form | | 定義日: | 2007-12-13 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-adamantyl]ethanone |
|
 | | SVR | | 表記: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON
IC ACID | | 組成式: | C51 H40 N6 O23 S6 | | SMILES: | O=S(=O)(O)c1c2c(cc(c1)S(=O)(=O)O)c(ccc2NC(=O)c3cc(c(cc3)C)NC(=O)c4cc(ccc4)NC(=O)Nc5cccc(c5)C(=O)Nc6c(ccc(c6)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)O | | InChi: | InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80) | | 別名: | SURAMIN | | 定義日: | 2004-12-15 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 8-[(4-methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]naphthalene-1,3,5-trisulfonic acid |
|
 | | BJX | | 表記: | Repaglinide | | 組成式: | C27 H36 N2 O4 | | SMILES: | C(CC(c1ccccc1N2CCCCC2)NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C | | InChi: | InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1 | | 別名: | 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid | | 定義日: | 2019-02-07 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-05-22 | | 識別子（ID）: | 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid |
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 | | BK1 | | 表記: | 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | 組成式: | C19 H19 N5 | | SMILES: | n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)C)N | | InChi: | InChI=1S/C19H19N5/c1-12(2)24-19-17(18(20)21-11-22-19)16(23-24)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3,(H2,20,21,22) | | 別名: | 4-Amino-1-iso-propyl-3-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine | | 定義日: | 2009-07-09 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-(naphthalen-1-ylmethyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | BK5 | | 表記: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | | 組成式: | C20 H21 N5 O | | SMILES: | n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)C(C)C)N | | InChi: | InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23) | | 別名: | RM-1-89 | | 定義日: | 2011-07-27 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | SWA | | 表記: | 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL | | 組成式: | C8 H15 N O3 | | SMILES: | OC1CCCN2C1C(O)C(O)C2 | | InChi: | InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1 | | 別名: | SWAINSONINE | | 定義日: | 2001-01-15 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S,2R,8R,8aR)-octahydroindolizine-1,2,8-triol |
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 | | BL1 | | 表記: | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide | | 組成式: | C16 H16 Cl N3 O3 S | | SMILES: | O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C | | InChi: | InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)/t10-/m0/s1 | | 別名: | Indapamide | | 定義日: | 2007-12-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide |
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