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Z84
Z84
表記:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
組成式:C26 H30 N6 O2 S
SMILES:Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4ccncc4)n3)C(C)(C)C
InChi:InChI=1S/C26H30N6O2S/c1-18-5-7-21(8-6-18)32-23(15-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-14-34-16-19-9-12-27-13-10-19/h5-10,12-13,15,17H,11,14,16H2,1-4H3,(H2,28,29,30,33)
別名:1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-4-ylmethoxy)ethyl)thiazol-2-yl)urea
定義日:2010-01-24
最終更新日:2021-03-01
識別子（ID）:1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl]urea
Z85
Z85
表記:1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
組成式:C27 H31 N5 O2 S
SMILES:Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4ccccc4)n3)C(C)(C)C
InChi:InChI=1S/C27H31N5O2S/c1-19-10-12-22(13-11-19)32-24(16-23(31-32)27(2,3)4)29-25(33)30-26-28-21(18-35-26)14-15-34-17-20-8-6-5-7-9-20/h5-13,16,18H,14-15,17H2,1-4H3,(H2,28,29,30,33)
別名:1-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
定義日:2010-01-24
最終更新日:2021-03-01
識別子（ID）:1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]urea
Z86
Z86
表記:(4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid
組成式:C28 H31 N5 O4 S
SMILES:CC(C)(C)c1cc(NC(=O)Nc2scc(CCOCc3ccccc3)n2)n(n1)c4ccc(CC(O)=O)cc4
InChi:InChI=1S/C28H31N5O4S/c1-28(2,3)23-16-24(33(32-23)22-11-9-19(10-12-22)15-25(34)35)30-26(36)31-27-29-21(18-38-27)13-14-37-17-20-7-5-4-6-8-20/h4-12,16,18H,13-15,17H2,1-3H3,(H,34,35)(H2,29,30,31,36)
別名:2-(4-(5-(3-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)ureido)-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetic acid
定義日:2010-01-24
最終更新日:2021-03-01
識別子（ID）:2-[4-[3-tert-butyl-5-[[4-(2-phenylmethoxyethyl)-1,3-thiazol-2-yl]carbamoylamino]pyrazol-1-yl]phenyl]ethanoic acid
YC2
YC2
表記:N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid
組成式:C19 H24 I N3 O8
SMILES:O=C(c1ccc(I)cc1)NCCCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1
別名:(S)-2-(3-((S)-1-carboxy-(4-iodobenzamido)pentyl)ureido)pentanedioic acid
定義日:2008-06-05
最終更新日:2021-03-01
識別子（ID）:N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid
NRN
NRN
表記:(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
組成式:C10 H13 N5 O3
SMILES:Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
InChi:InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
別名:noraristeromycin
定義日:2015-07-31
最終更新日:2021-03-01
公開日:2016-07-27
識別子（ID）:(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
YCN
YCN
表記:1,4,7,10-tetraazacyclododecane
組成式:C8 H20 N4
SMILES:C1CNCCNCCNCCN1
InChi:InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2
別名:Cyclen
定義日:2010-01-20
最終更新日:2021-03-01
識別子（ID）:3,6,9,12-tetrazacyclododecane
FOP
FOP
表記:2-HYDROXY-PROPYL-AMMONIUM
組成式:C3 H10 N O
SMILES:OC(C)C[NH3+]
InChi:InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/p+1/t3-/m1/s1
別名:F-LOOP OF VITAMIN B12
定義日:2001-04-11
最終更新日:2021-03-01
識別子（ID）:(2R)-2-hydroxypropan-1-aminium
ZSP
ZSP
表記:2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
組成式:C9 H11 N5 O3
SMILES:O=C1C=2N=C(C(O)=C(O)C)CNC=2N=C(N)N1
InChi:InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-
別名:Sepiapterin (enol-form)
定義日:2013-12-20
最終更新日:2021-03-01
公開日:2014-07-16
識別子（ID）:2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
ZAH
ZAH
表記:N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE
組成式:C16 H20 N2 O5
SMILES:O=C(O)C2N(C(=O)C(NC(=O)OCc1ccccc1)C)CCC2
InChi:InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1
別名:Z-ALA PROLINAL
定義日:2005-02-16
最終更新日:2021-03-01
識別子（ID）:N-[(benzyloxy)carbonyl]-L-alanyl-L-proline
NSK
NSK
表記:N-SUCCINYL LYSINE
組成式:C10 H18 N2 O5
SMILES:O=C(NC(C(=O)O)CCCCN)CCC(=O)O
InChi:InChI=1S/C10H18N2O5/c11-6-2-1-3-7(10(16)17)12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
別名:N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE
定義日:2007-04-05
最終更新日:2021-03-01
識別子（ID）:N~2~-(3-carboxypropanoyl)-L-lysine
NSL
NSL
表記:4-Hydroxyazobenzene
組成式:C12 H10 N2 O
SMILES:c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
別名:4-[(E)-phenyldiazenyl]phenol
定義日:2019-04-15
最終更新日:2021-03-01
公開日:2019-07-24
識別子（ID）:4-[(E)-phenyldiazenyl]phenol
FP0
FP0
表記:(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
組成式:C17 H24 O5
SMILES:O=C(OC3CC2(C4(C(OC3C21OC1)C=C(C)CC4)CO)C)C
InChi:InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1
別名:15-decalonectrin
定義日:2009-01-05
最終更新日:2021-03-01
識別子（ID）:(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
FPM
FPM
表記:(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
組成式:C12 H15 N O5 S
SMILES:O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O
InChi:InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
別名:Faropenem
定義日:2007-11-27
最終更新日:2021-03-01
識別子（ID）:(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
FPS
FPS
表記:S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
組成式:C15 H28 O6 P2 S
SMILES:O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(C)CCC=C(/C)C)C
InChi:InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
別名:FARNESYL THIOPYROPHOSPHATE
定義日:2005-03-16
最終更新日:2021-03-01
識別子（ID）:S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate
YRL
YRL
表記:4-(2-hydroxyethyl)phenol
組成式:C8 H10 O2
SMILES:Oc1ccc(cc1)CCO
InChi:InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
別名:p-tyrosol
定義日:2014-03-25
最終更新日:2021-03-01
公開日:2014-07-30
識別子（ID）:4-(2-hydroxyethyl)phenol
FQC
FQC
表記:3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one
組成式:C16 H8 Cl2 F N5 O
SMILES:Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)c4ccc(Cl)cc4Cl
InChi:InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H
別名:Fluquinconazole
定義日:2015-10-20
最終更新日:2021-03-01
公開日:2016-02-10
識別子（ID）:3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one
ZD6
ZD6
表記:Vandetanib
組成式:C22 H24 Br F N4 O2
SMILES:COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
InChi:InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
別名:ZD6474
定義日:2006-06-16
最終更新日:2021-03-01
識別子（ID）:~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
ZEA
ZEA
表記:(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
組成式:C10 H13 N5 O
SMILES:n2c1c(ncn1)c(nc2)NCC=C(/C)CO
InChi:InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
別名:TRANS-ZEATIN
定義日:2004-06-23
最終更新日:2021-03-01
識別子（ID）:(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
FR0
FR0
表記:N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE
組成式:C16 H15 N7 S2
SMILES:N(=C(/N)N)c4nc(c1sc(cc1)CNc2nc3ccccc3n2)cs4
InChi:InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23)
別名:FR117016
定義日:2002-12-13
最終更新日:2021-03-01
識別子（ID）:2-(4-{5-[(1H-benzimidazol-2-ylamino)methyl]thiophen-2-yl}-1,3-thiazol-2-yl)guanidine
FR5
FR5
表記:1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
組成式:C27 H29 N7 O3
SMILES:O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCc4nc5ccccc5n4C
InChi:InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1
別名:FR235999
定義日:2002-12-13
最終更新日:2021-03-01
識別子（ID）:1-[(1R)-1-(hydroxymethyl)-3-(6-{[3-(1-methyl-1H-benzimidazol-2-yl)propanoyl]amino}-1H-indol-1-yl)propyl]-1H-imidazole-4-carboxamide
FR6
FR6
表記:1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE
組成式:C19 H21 N3 O2
SMILES:O=C(c1ncn(c1)C(C(O)C)CCc3c2ccccc2ccc3)N
InChi:InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1
別名:FR233623
定義日:2003-12-16
最終更新日:2021-03-01
識別子（ID）:1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide
FR8
FR8
表記:1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
組成式:C27 H31 N5 O3
SMILES:O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCCCc4ccccc4
InChi:InChI=1S/C27H31N5O3/c28-27(35)24-17-32(19-29-24)23(18-33)13-15-31-14-12-21-10-11-22(16-25(21)31)30-26(34)9-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,10-12,14,16-17,19,23,33H,4-5,8-9,13,15,18H2,(H2,28,35)(H,30,34)/t23-/m1/s1
別名:FR235380
定義日:2003-09-15
最終更新日:2021-03-01
識別子（ID）:1-[(1R)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1H-indol-1-yl}propyl]-1H-imidazole-4-carboxamide
NUT
NUT
表記:4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
組成式:C30 H30 Cl2 N4 O4
SMILES:O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5
InChi:InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
別名:Nutlin 3a
定義日:2012-10-12
最終更新日:2021-03-01
公開日:2013-04-24
識別子（ID）:4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
FRC
FRC
表記:1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE
組成式:C19 H21 N3 O3
SMILES:O=C(c1ncn(c1)C(C(O)C)CCOc3cc2ccccc2cc3)N
InChi:InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1
別名:FR247581
定義日:2003-12-16
最終更新日:2021-03-01
識別子（ID）:3-(4-carbamoyl-1H-imidazol-1-yl)-1,3,4-trideoxy-5-O-naphthalen-2-yl-D-erythro-pentitol
ZEZ
ZEZ
表記:(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
組成式:C10 H13 N5 O
SMILES:n2c1c(ncn1)c(nc2)NC/C=C(/C)CO
InChi:InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-
別名:CIS-ZEATIN
定義日:2008-03-03
最終更新日:2021-03-01
識別子（ID）:(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol

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