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PDB ウェブページステータス検索化合物検索: 35504 件 BIRD

5M7

5M7
表記:	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
組成式:	C21 H19 Cl N2 O2
SMILES:	OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4
InChi:	InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)
定義日:	2015-10-22
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid

5M8

5M8
表記:	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
組成式:	C17 H12 Cl N O2
SMILES:	Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O
InChi:	InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
定義日:	2015-10-22
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid

5M9

5M9
表記:	6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
組成式:	C17 H22 Cl N7
SMILES:	Cn1nc(nc1CCc2nn3c(C)c(Cl)cc(C)c3n2)N4CCCC4
InChi:	InChI=1S/C17H22ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(21-25)6-7-15-20-17(22-23(15)3)24-8-4-5-9-24/h10H,4-9H2,1-3H3
定義日:	2015-10-22
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

5MF

5MF
表記:	8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
組成式:	C17 H24 N8
SMILES:	CCc1cnc(C)n2nc(CCc3nc(nn3C)N4CCCC4)nc12
InChi:	InChI=1S/C17H24N8/c1-4-13-11-18-12(2)25-16(13)19-14(21-25)7-8-15-20-17(22-23(15)3)24-9-5-6-10-24/h11H,4-10H2,1-3H3
定義日:	2015-10-22
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

5MG

5MG
表記:	3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one
組成式:	C20 H12 Cl F3 N4 O2
SMILES:	FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3nc(Cl)[nH]c3c4ccccc4
InChi:	InChI=1S/C20H12ClF3N4O2/c21-19-25-16(12-5-2-1-3-6-12)18(26-19)17-15(29)9-10-28(27-17)13-7-4-8-14(11-13)30-20(22,23)24/h1-11H,(H,25,26)
定義日:	2015-10-22
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one

5O5

5O5
表記:	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole
組成式:	C8 H6 Cl2 N4 O
SMILES:	Clc1ccc(OCc2[nH]nnn2)cc1Cl
InChi:	InChI=1S/C8H6Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
定義日:	2015-10-29
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole

5ON

5ON
表記:	(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
組成式:	C18 H16 O5
SMILES:	OC(=O)Cc1cccc(COc2cccc(C=CC(O)=O)c2)c1
InChi:	InChI=1S/C18H16O5/c19-17(20)8-7-13-3-2-6-16(10-13)23-12-15-5-1-4-14(9-15)11-18(21)22/h1-10H,11-12H2,(H,19,20)(H,21,22)/b8-7+
定義日:	2015-10-30
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	(~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid

5PZ

5PZ
表記:	(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
組成式:	C23 H21 Cl2 N3 O
SMILES:	Cc1ccccc1CN2C(=N)N(C[CH](O)c3ccc(Cl)c(Cl)c3)c4ccccc24
InChi:	InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3/b26-23-/t22-/m0/s1
定義日:	2015-11-06
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol

5SW

5SW
表記:	4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
組成式:	C20 H23 N3 O3
SMILES:	COc1cc(cc(OC)c1CN(C)C)C2=CN(C)C(=O)c3cnccc23
InChi:	InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
定義日:	2015-11-25
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one

5TU

5TU
表記:	4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide
組成式:	C14 H14 N2 O2
SMILES:	CN1C=C(C=C(C)C1=O)c2ccc(cc2)C(N)=O
InChi:	InChI=1S/C14H14N2O2/c1-9-7-12(8-16(2)14(9)18)10-3-5-11(6-4-10)13(15)17/h3-8H,1-2H3,(H2,15,17)
定義日:	2015-12-01
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide

5TY

5TY
表記:	2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one
組成式:	C10 H12 N4 O
SMILES:	CN(C)c1ncc2C(=O)N(C)C=Cc2n1
InChi:	InChI=1S/C10H12N4O/c1-13(2)10-11-6-7-8(12-10)4-5-14(3)9(7)15/h4-6H,1-3H3
定義日:	2015-12-02
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one

5U2

5U2
表記:	5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one
組成式:	C19 H24 N2 O4
SMILES:	COc1cc(cc(OC)c1CN2CC(O)C2)C3=CN(C)C(=O)C(=C3)C
InChi:	InChI=1S/C19H24N2O4/c1-12-5-14(8-20(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-21-9-15(22)10-21/h5-8,15,22H,9-11H2,1-4H3
定義日:	2015-12-02
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one

5U6

5U6
表記:	4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
組成式:	C20 H23 N3 O3
SMILES:	COc1cc(c(OC)cc1CN(C)C)C2=CN(C)C(=O)c3cnccc23
InChi:	InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
定義日:	2015-12-02
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one

4EO

4EO
表記:	1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one
組成式:	C15 H14 N2 O3
SMILES:	O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CC
InChi:	InChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)
定義日:	2015-03-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one

4EP

4EP
表記:	1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one
組成式:	C16 H16 N2 O3
SMILES:	O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CCC
InChi:	InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)
定義日:	2015-03-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one

4EQ

4EQ
表記:	1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one
組成式:	C19 H17 Cl N4 O5 S
SMILES:	OS(O)(c1cnccc1)NCc2cc3c(cc2)N(C(N3)=O)c4cc(Cl)c(cc4O)O
InChi:	InChI=1S/C19H17ClN4O5S/c20-13-7-16(18(26)8-17(13)25)24-15-4-3-11(6-14(15)23-19(24)27)9-22-30(28,29)12-2-1-5-21-10-12/h1-8,10,22,25-26,28-29H,9H2,(H,23,27)
定義日:	2015-03-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one

4ER

4ER
表記:	6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
組成式:	C9 H8 Cl N5
SMILES:	Clc1c(cccc1)c2nc(nc(n2)N)N
InChi:	InChI=1S/C9H8ClN5/c10-6-4-2-1-3-5(6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
定義日:	2015-03-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine

4ES

4ES
表記:	4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine
組成式:	C11 H9 Cl N4 O2
SMILES:	[O-][N+](=O)c1ccc(c(c1)Cl)c2cc(nc(n2)N)C
InChi:	InChI=1S/C11H9ClN4O2/c1-6-4-10(15-11(13)14-6)8-3-2-7(16(17)18)5-9(8)12/h2-5H,1H3,(H2,13,14,15)
定義日:	2015-03-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine

4ET

4ET
表記:	(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone
組成式:	C13 H9 Cl O3
SMILES:	Clc1cc(c(cc1)O)C(c2ccc(cc2)O)=O
InChi:	InChI=1S/C13H9ClO3/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7,15-16H
定義日:	2015-03-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone

4EU

4EU
表記:	(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
組成式:	C13 H10 O4
SMILES:	O=C(c1ccc(cc1O)O)c2ccc(cc2)O
InChi:	InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H
定義日:	2015-03-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone

4EV

4EV
表記:	(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone
組成式:	C13 H10 O4
SMILES:	O=C(c1ccc(cc1O)O)c2cccc(c2)O
InChi:	InChI=1S/C13H10O4/c14-9-3-1-2-8(6-9)13(17)11-5-4-10(15)7-12(11)16/h1-7,14-16H
定義日:	2015-03-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone

4OT

4OT
表記:	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone
組成式:	C24 H21 F N4 O2 S
SMILES:	C(C1CCCN1C(c2c(sc(C)n2)c3c(cccc3)F)=O)c4oc(nn4)c5ccccc5
InChi:	InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1
定義日:	2015-04-29
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone

HD6

HD6
表記:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
組成式:	C37 H68 N7 O16 P3 S
SMILES:	CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C37H68N7O16P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-64-22-20-39-28(45)18-19-40-35(48)32(47)37(2,3)24-57-63(54,55)60-62(52,53)56-23-27-31(59-61(49,50)51)30(46)36(58-27)44-26-43-29-33(38)41-25-42-34(29)44/h25-27,30-32,36,46-47H,4-24H2,1-3H3,(H,39,45)(H,40,48)(H,52,53)(H,54,55)(H2,38,41,42)(H2,49,50,51)/t27-,30-,31-,32-,36-/m1/s1
定義日:	2015-12-03
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate

IDK

IDK
表記:	N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
組成式:	C21 H22 N4 O3 S
SMILES:	c2(cccc(NS(=O)(CC1CC1)=O)c2)c5cc4nnc(NC(=O)C3CC3)c4cc5
InChi:	InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)
定義日:	2016-02-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide

IDV

IDV
表記:	N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide
組成式:	C19 H21 N5 O3 S
SMILES:	c1cc(cc(NS(=O)(N(C)C)=O)c1)c2cc4c(cc2)c(NC(=O)C3CC3)nn4
InChi:	InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)
定義日:	2016-02-11
最終更新日:	2016-03-04
公開日:	2016-03-09
識別子（ID）:	N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide

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