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M1N
M1N
表記:(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID
組成式:C23 H32 B N3 O5
SMILES:O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc2c1ccccc1ccc2)N3CCOCC3
InChi:InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1
別名:N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID
定義日:2006-01-10
最終更新日:2021-03-01
識別子（ID）:[(1R)-3-methyl-1-({(2R)-2-[(morpholin-4-ylcarbonyl)amino]-3-naphthalen-1-ylpropanoyl}amino)butyl]boronic acid (non-preferred name)
D42
D42
表記:1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA
組成式:C21 H23 N7 O2 S
SMILES:O=C(NN1CCN(C)CC1)Nc2cccc3c2C(=O)c4c(nnc34)c5sc(nc5C)C
InChi:InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30)
別名:DPH-042562
定義日:2005-09-28
最終更新日:2021-03-01
識別子（ID）:1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl]-3-(4-methylpiperazin-1-yl)urea
D4F
D4F
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
組成式:C21 H20 N7 O9 P S2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CSC(=N4)c5sc6cc(O)ccc6n5)[CH](O)[CH]3O
InChi:InChI=1S/C21H20N7O9PS2/c22-16-13-17(24-6-23-16)28(7-25-13)20-15(31)14(30)11(36-20)4-35-38(33,34)37-21(32)10-5-39-18(27-10)19-26-9-2-1-8(29)3-12(9)40-19/h1-3,6-7,10-11,14-15,20,29-31H,4-5H2,(H,33,34)(H2,22,23,24)/t10-,11-,14-,15-,20-/m1/s1
別名:Luciferyl adenylate
定義日:2019-06-25
最終更新日:2021-03-01
公開日:2020-05-27
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
D50
D50
表記:N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine
組成式:C23 H30 N2 O5
SMILES:O=C(O)C(NC(=O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)CC(C)C
InChi:InChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1
別名:Bestatin derivative 7d
定義日:2011-01-11
最終更新日:2021-03-01
識別子（ID）:N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine
D65
D65
表記:2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
組成式:C14 H12 F7 N5 S
SMILES:FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C
InChi:InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3
別名:DSM265
定義日:2014-12-09
最終更新日:2021-03-01
公開日:2015-07-29
識別子（ID）:2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D66
D66
表記:N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine
組成式:C17 H26 N2 O5
SMILES:O=C(O)C(NC(=O)C(O)C(N)Cc1ccc(OC)cc1)CC(C)C
InChi:InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1
別名:Bestatin-derivative 7c
定義日:2011-01-11
最終更新日:2021-03-01
識別子（ID）:N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine
D7G
D7G
表記:((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER
組成式:C25 H37 N3 O7
SMILES:O=C(C(=O)NC1CC1)C(NC(=O)C(NC(=O)OCCOCCOC)CC(C)C)Cc2ccccc2
InChi:InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1
別名:SNJ-1945
定義日:2006-03-08
最終更新日:2021-03-01
識別子（ID）:N-[(1S)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl]-N~2~-{[2-(2-methoxyethoxy)ethoxy]carbonyl}-L-leucinamide
D7P
D7P
表記:D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE
組成式:C15 H25 N7 O4
SMILES:O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O
InChi:InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1
別名:D-PHENYLALANINE-D-NITROARGININE AMIDE
定義日:2003-12-18
最終更新日:2021-03-01
識別子（ID）:D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide
D7S
D7S
表記:(5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid
組成式:C27 H42 O3
SMILES:O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C
InChi:InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1
別名:(25S)-delta7-dafachronic acid
定義日:2011-11-18
最終更新日:2021-03-01
識別子（ID）:(5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid
D8E
D8E
表記:~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
組成式:C26 H34 F N5 O6
SMILES:CN1CCCC[CH](NC(=O)c2cc(C)on2)C(=O)N[CH](Cc3ccc(F)cc3)C(=O)N[CH](CO)CCC1=O
InChi:InChI=1S/C26H34FN5O6/c1-16-13-22(31-38-16)26(37)29-20-5-3-4-12-32(2)23(34)11-10-19(15-33)28-25(36)21(30-24(20)35)14-17-6-8-18(27)9-7-17/h6-9,13,19-21,33H,3-5,10-12,14-15H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)/t19-,20-,21-/m0/s1
別名:LIPID FRAGMENT
定義日:2018-01-09
最終更新日:2021-03-01
公開日:2018-02-21
識別子（ID）:~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
DB7
DB7
表記:dibutyl benzene-1,2-dicarboxylate
組成式:C16 H22 O4
SMILES:O=C(OCCCC)c1ccccc1C(=O)OCCCC
InChi:InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
別名:Dibutyl phthalate
定義日:2012-08-02
最終更新日:2021-03-01
公開日:2012-11-02
識別子（ID）:dibutyl benzene-1,2-dicarboxylate
DBN
DBN
表記:6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE
組成式:C23 H20 N6 S
SMILES:n3c2c(cc(C1=NCCN1)cc2)nc3c4sc(cc4)c6ccc(C5=NCCN5)cc6
InChi:InChI=1S/C23H20N6S/c1-3-15(21-24-9-10-25-21)4-2-14(1)19-7-8-20(30-19)23-28-17-6-5-16(13-18(17)29-23)22-26-11-12-27-22/h1-8,13H,9-12H2,(H,24,25)(H,26,27)(H,28,29)
別名:DB819
定義日:2005-10-06
最終更新日:2021-03-01
識別子（ID）:6-(4,5-dihydro-1H-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl}-1H-benzimidazole
DCJ
DCJ
表記:N-((1-(2,6-DICARBOXYPYRIDIN-4-YL)-1H-1,2,3-TRIAZOL-4-YL)METHYL)-2-HYDROXY-N,N-DIMETHYLETHANAMINIUM
組成式:C14 H18 N5 O5
SMILES:O=C(O)c1nc(cc(c1)n2nnc(c2)C[N+](CCO)(C)C)C(=O)O
InChi:InChI=1S/C14H17N5O5/c1-19(2,3-4-20)8-9-7-18(17-16-9)10-5-11(13(21)22)15-12(6-10)14(23)24/h5-7,20H,3-4,8H2,1-2H3,(H-,21,22,23,24)/p+1
別名:HYDROXYETHYLCHOLINETRIAZOLEDIPICOLINATE
定義日:2012-09-14
最終更新日:2021-03-01
公開日:2012-11-09
識別子（ID）:N-{[1-(2,6-dicarboxypyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}-2-hydroxy-N,N-dimethylethanaminium
DCX
DCX
表記:DECYL(DIMETHYL)PHOSPHINE OXIDE
組成式:C12 H27 O P
SMILES:O=P(CCCCCCCCCC)(C)C
InChi:InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3
別名:DIMETHYLDECYLPHOSPHINE OXIDE
定義日:2007-07-25
最終更新日:2021-03-01
識別子（ID）:decyl(dimethyl)phosphane oxide
DD6
DD6
表記:(3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol
組成式:C40 H54 O3
SMILES:CC([C@H]=C[C@H]=C(C#CC=1C(C)(C)CC(CC=1C)O)C)=[C@H]C=[C@H]C=C(/C)C=CC=C(/C)C=C/C32OC2(CC(CC3(C)C)O)C
InChi:InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23-,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
別名:Diadinoxanthin
定義日:2018-10-17
最終更新日:2021-03-01
公開日:2019-02-06
識別子（ID）:(3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol
DF0
DF0
表記:(2-fluorobiphenyl-4-yl)acetic acid
組成式:C14 H11 F O2
SMILES:Fc2cc(ccc2c1ccccc1)CC(=O)O
InChi:InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17)
別名:Des-methylflurbiprofen
定義日:2012-06-29
最終更新日:2021-03-01
公開日:2012-08-24
識別子（ID）:(2-fluorobiphenyl-4-yl)acetic acid
DFV
DFV
表記:7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
組成式:C15 H12 O4
SMILES:O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3
InChi:InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
別名:5-DEOXYFLAVANONE
定義日:2000-08-29
最終更新日:2021-03-01
識別子（ID）:(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
DGB
DGB
表記:(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
組成式:C24 H29 N3 O2
SMILES:O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3
InChi:InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
別名:FK-866
定義日:2006-03-09
最終更新日:2021-03-01
識別子（ID）:(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
DGJ
DGJ
表記:(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
組成式:C6 H13 N O4
SMILES:OC1C(NCC(O)C1O)CO
InChi:InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1
別名:1-deoxygalactonojirimycin
定義日:2011-07-01
最終更新日:2021-03-01
識別子（ID）:(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
400
400
表記:3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
組成式:C27 H30 N6 O2 S
SMILES:O=C(c1sc4c(c1)nnc4NC(=O)c3ccc(N2CCN(C)CC2)cc3)NC(c5ccccc5)CC
InChi:InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m1/s1
別名:PHA-828300
定義日:2009-09-03
最終更新日:2021-03-01
識別子（ID）:3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
401
401
表記:(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
組成式:C21 H21 F4 N O4
SMILES:FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OC)CC(C(=O)O)CC
InChi:InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
別名:(S)-2-{3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]-4-methoxybenzyl} butyric acid
定義日:2008-05-09
最終更新日:2021-03-01
識別子（ID）:(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
DGQ
DGQ
表記:(S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid
組成式:C15 H31 B10 N3 O8
SMILES:OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[C]1234[BH]567[BH]89%10[BH]%11%12%13[BH]58%14[BH]%11%15%16[BH]%12%17%18[BH]9%13%19[BH]16%10[BH]2%17%19[CH]3%15%18[BH]47%14%16)C(O)=O)C(O)=O
InChi:InChI=1S/C15H31B10N3O8/c29-9(30)5-4-8(11(33)34)28-13(36)27-7(10(31)32)3-1-2-6-26-12(35)15-14-16(15)18(14)19(14)17(14,15)21(15)20(15,16)22(16,18)24(18,19)23(17,19,21)25(20,21,22)24/h7-8,14,16-25H,1-6H2,(H,26,35)(H,29,30)(H,31,32)(H,33,34)(H2,27,28,36)/t7-,8-/m0/s1
別名:DCCBL
定義日:2014-04-08
最終更新日:2021-03-01
公開日:2015-02-18
408
408
表記:(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
組成式:C16 H16 F3 N O
SMILES:FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
InChi:InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
別名:(R)-Norfluoxetine
定義日:2014-12-22
最終更新日:2021-03-01
公開日:2015-03-18
識別子（ID）:(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
DH7
DH7
表記:(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
組成式:C30 H46
SMILES:C(=C(C)CCC=C(/C)CCC=C(/C)C)=CC=C=C(/C)CC/C=C(C)CCC=C(/C)C
InChi:InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+
別名:dehydrosqualene
定義日:2010-07-07
最終更新日:2021-03-01
識別子（ID）:(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
41M
41M
表記:N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide
組成式:C16 H29 N5 O3 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)N)N
InChi:InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1
別名:N-epsilon-Biotinyl-lysine-amid
定義日:2015-01-13
最終更新日:2021-03-01
公開日:2015-03-04
識別子（ID）:N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide

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件を2024-08-14に公開中

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