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71Y
71Y
表記:~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
組成式:C20 H23 Cl N2 O3
SMILES:CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23
InChi:InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1
別名:I-p300
定義日:2016-08-14
最終更新日:2020-06-17
公開日:2017-08-16
識別子（ID）:~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
72E
72E
表記:4-(2-methylphenyl)-benzenesulfonamide
組成式:C13 H13 N O2 S
SMILES:Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2
InChi:InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)
別名:2'-methyl[1,1'-biphenyl]-4-sulfonamide
定義日:2016-08-15
最終更新日:2020-06-17
公開日:2016-12-21
識別子（ID）:2'-methyl[1,1'-biphenyl]-4-sulfonamide
72G
72G
表記:4-(3-formylphenyl)-benzenesulfonamide
組成式:C13 H11 N O3 S
SMILES:O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2
InChi:InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)
別名:3'-formyl[1,1'-biphenyl]-4-sulfonamide
定義日:2016-08-15
最終更新日:2020-06-17
公開日:2016-12-21
識別子（ID）:3'-formyl[1,1'-biphenyl]-4-sulfonamide
72H
72H
表記:4-(3-quinolinyl)-benzenesulfonamide
組成式:C15 H12 N2 O2 S
SMILES:c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3
InChi:InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19)
別名:4-(quinolin-3-yl)benzene-1-sulfonamide
定義日:2016-08-15
最終更新日:2020-06-17
公開日:2016-12-21
識別子（ID）:4-(quinolin-3-yl)benzene-1-sulfonamide
D5G
D5G
表記:(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE
組成式:C17 H25 N3 O3 S
SMILES:O=C(NC1COC(O)C1)C(NC(=S)Nc2ccccc2)CC(C)C
InChi:InChI=1S/C17H25N3O3S/c1-11(2)8-14(16(22)18-13-9-15(21)23-10-13)20-17(24)19-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,18,22)(H2,19,20,24)/t13-,14-,15-/m0/s1
別名:SNJ-1715
定義日:2006-03-08
最終更新日:2020-06-17
識別子（ID）:N-[(3S,5S)-5-hydroxytetrahydrofuran-3-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide
D5H
D5H
表記:2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
組成式:C20 H18 F N O4
SMILES:COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2
InChi:InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)
別名:Vidofludimus, 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
定義日:2017-08-01
最終更新日:2020-06-17
公開日:2018-10-31
識別子（ID）:2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
D5T
D5T
表記:1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione
組成式:C30 H38 N4 O6
SMILES:COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CC(C)(C)CC4=O)C(=O)[CH]5CC=CC[CH]25
InChi:InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1
別名:NPD-226
定義日:2017-12-25
最終更新日:2020-06-17
公開日:2019-04-10
識別子（ID）:1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione
74T
74T
表記:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
組成式:C38 H53 N5 O7 S2
SMILES:O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc5nc(sc5c4)NC7CCN(C6CCCC6)CC7
InChi:InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1
別名:TMC310911
定義日:2011-03-22
最終更新日:2020-06-17
識別子（ID）:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
74X
74X
表記:1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea
組成式:C18 H18 Cl F3 N4 O4 S
SMILES:FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O
InChi:InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1
別名:(THIO)UREA-ALPHA-DEOXYTHYMIDINE DERIVATIVE
定義日:2012-10-24
最終更新日:2020-06-17
公開日:2013-07-24
識別子（ID）:5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine
EF1
EF1
表記:(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid
組成式:C21 H35 N2 O5 P
SMILES:O=C(O)C(CCCCCN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C
InChi:InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1
別名:EF6265
定義日:2013-06-13
最終更新日:2020-06-17
公開日:2013-10-02
識別子（ID）:(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid
EF6
EF6
表記:N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
組成式:C14 H12 Cl N3 O4 S2
SMILES:N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl
InChi:InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
別名:Indisulam
定義日:2019-08-05
最終更新日:2020-06-17
公開日:2019-11-13
識別子（ID）:N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
75D
75D
表記:2,4,6-tri(propan-2-yl)benzenesulfonic acid
組成式:C15 H24 O3 S
SMILES:O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
InChi:InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
別名:2,4,6-triisopropylbenzenesulfonic acid
定義日:2013-12-13
最終更新日:2020-06-17
公開日:2014-11-19
識別子（ID）:2,4,6-tri(propan-2-yl)benzenesulfonic acid
EFG
EFG
表記:1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one
組成式:C12 H13 F N5 O7 P
SMILES:O=P(O)(O)OCC4OC(n1cnc3c1n2ccnc2NC3=O)C(F)C4O
InChi:InChI=1S/C12H13FN5O7P/c13-6-8(19)5(3-24-26(21,22)23)25-11(6)18-4-15-7-9(20)16-12-14-1-2-17(12)10(7)18/h1-2,4-6,8,11,19H,3H2,(H,14,16,20)(H2,21,22,23)/t5-,6+,8-,11-/m1/s1
別名:2'-F-N2,3-etheno-2'-deoxyarabinoguanosine
定義日:2012-01-04
最終更新日:2020-06-17
識別子（ID）:1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one
75U
75U
表記:ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
組成式:C22 H25 Br N2 O3 S
SMILES:c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br
InChi:InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
別名:Arbidol
定義日:2016-09-02
最終更新日:2020-06-17
公開日:2017-01-04
識別子（ID）:ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
EFZ
EFZ
表記:(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE
組成式:C14 H9 Cl F3 N O2
SMILES:FC(F)(F)C3(C#CC1CC1)OC(=O)Nc2c3cc(Cl)cc2
InChi:InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
別名:DMP-266
定義日:2000-08-15
最終更新日:2020-06-17
識別子（ID）:(4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
762
762
表記:3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE
組成式:C20 H15 Cl N4 O
SMILES:[O-]c4c(c1ccccc1)cccc4c3nc2cc(c(Cl)cc2n3)C(=[NH2+])N
InChi:InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)
別名:CRA_10762
定義日:2003-03-14
最終更新日:2020-06-17
識別子（ID）:3-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}biphenyl-2-olate
766
766
表記:5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide
組成式:C24 H21 F N2 O3 S
SMILES:N(CCCCc1sc2c(c1)cncc2)C(c3c(c(cc(c3)c4ccc(cc4)F)O)O)=O
InChi:InChI=1S/C24H21FN2O3S/c25-18-6-4-15(5-7-18)16-12-20(23(29)21(28)13-16)24(30)27-9-2-1-3-19-11-17-14-26-10-8-22(17)31-19/h4-8,10-14,28-29H,1-3,9H2,(H,27,30)
別名:4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide
定義日:2016-09-02
最終更新日:2020-06-17
公開日:2017-08-30
識別子（ID）:4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide
EGC
EGC
表記:2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL
組成式:C32 H58 O10
SMILES:O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3
別名:TRITON X-100
定義日:2001-08-02
最終更新日:2020-06-17
識別子（ID）:26-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
76A
76A
表記:3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE
組成式:C29 H27 N3 O3
SMILES:O=C(NC1CCC(O)CC1)c2cc6c(cc2)c3c(c(nn3)c5ccc(c4ccc(O)cc4)cc5)C6
InChi:InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
別名:3-(4'-HYDROXY-BIPHENYL-4-YL)-1,4-DIHYDRO-INDENO[1,2-C]PYRAZOLE-6-CARBOXYLIC ACID (4-HYDROXY-CYCLOHEXYL)-AMIDE
定義日:2007-01-31
最終更新日:2020-06-17
識別子（ID）:3-(4'-hydroxybiphenyl-4-yl)-N-(trans-4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide
76D
76D
表記:2,4,6-tri(propan-2-yl)benzoic acid
組成式:C16 H24 O2
SMILES:O=C(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
InChi:InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
別名:2,4,6-triisopropylbenzoic acid
定義日:2013-12-13
最終更新日:2020-06-17
公開日:2014-11-19
識別子（ID）:2,4,6-tri(propan-2-yl)benzoic acid
76T
76T
表記:5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide
組成式:C28 H23 F N4 O3
SMILES:C(NCc3cc(CNc2cc1c(nnc1)cc2)ccc3)(c4c(c(O)cc(c4)c5ccc(cc5)F)O)=O
InChi:InChI=1S/C28H23FN4O3/c29-22-6-4-19(5-7-22)20-12-24(27(35)26(34)13-20)28(36)31-15-18-3-1-2-17(10-18)14-30-23-8-9-25-21(11-23)16-32-33-25/h1-13,16,30,34-35H,14-15H2,(H,31,36)(H,32,33)
別名:4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide
定義日:2016-09-07
最終更新日:2020-06-17
公開日:2017-08-30
識別子（ID）:4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide
772
772
表記:2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE
組成式:C10 H7 N2 O4 P
SMILES:O=P(O)(O)Oc1cccc2ccc(C#N)nc12
InChi:InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15)
別名:RU79072
定義日:2003-06-20
最終更新日:2020-06-17
識別子（ID）:2-cyanoquinolin-8-yl dihydrogen phosphate
EHA
EHA
表記:(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID
組成式:C33 H31 N O5
SMILES:O=C(c1ccccc1)c5cc4ccc(OCCCOc2cc3c(cc2)n(cc3)CC(=O)O)c(c4cc5)CCC
InChi:InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
別名:2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
定義日:2005-11-29
最終更新日:2020-06-17
識別子（ID）:[5-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propoxy)-1H-indol-1-yl]acetic acid
781
781
表記:N-(5-hydroxynaphthalen-2-yl)propanamide
組成式:C13 H13 N O2
SMILES:O=C(Nc2cc1cccc(O)c1cc2)CC
InChi:InChI=1S/C13H13NO2/c1-2-13(16)14-10-6-7-11-9(8-10)4-3-5-12(11)15/h3-8,15H,2H2,1H3,(H,14,16)
別名:N-(5-hydroxynaphthalen-2-yl)prop-2-enamide, bound form
定義日:2015-03-23
最終更新日:2020-06-17
公開日:2015-08-12
識別子（ID）:N-(5-hydroxynaphthalen-2-yl)propanamide
EIC
EIC
表記:LINOLEIC ACID
組成式:C18 H32 O2
SMILES:O=C(O)CCCCCCCC=C/CC=C/CCCCC
InChi:InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
別名:9,12-LINOLEIC ACID
定義日:2001-04-20
最終更新日:2020-06-17
識別子（ID）:(9Z,12Z)-octadeca-9,12-dienoic acid

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