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PDB ウェブページステータス検索化合物検索: 36565 件 BIRD

XKG

XKG
表記:	(2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one
組成式:	C24 H27 N3 O3
SMILES:	Cc1cc(c(c(c1)C)N=C4/C=C3c2c(cc(c(c2)OC)OC)CCN3C(=O)N4C)C
InChi:	InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3/b25-22+
別名:	Trequinsin
定義日:	2020-12-17
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	(2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one

TO3

TO3
表記:	N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
組成式:	C20 H15 F4 N3 O4 S
SMILES:	C(=O)(NO)c3ccc(CN(Cc1cnccc1)S(c2cc(c(c(F)c2F)F)F)(=O)=O)cc3
InChi:	InChI=1S/C20H15F4N3O4S/c21-15-8-16(18(23)19(24)17(15)22)32(30,31)27(11-13-2-1-7-25-9-13)10-12-3-5-14(6-4-12)20(28)26-29/h1-9,29H,10-11H2,(H,26,28)
定義日:	2020-08-07
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide

SFW

SFW
表記:	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
組成式:	C17 H13 F3 N2
SMILES:	Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F
InChi:	InChI=1S/C17H13F3N2/c1-12-7-8-15(14(11-12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3
定義日:	2020-11-16
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole

SGH

SGH
表記:	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole
組成式:	C17 H13 F3 N2
SMILES:	Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H13F3N2/c1-12-7-8-14(11-15(12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3
定義日:	2020-11-16
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole

TQK

TQK
表記:	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde
組成式:	C17 H14 N2 O
SMILES:	Cc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H14N2O/c1-13-11-16(8-7-15(13)12-20)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3
定義日:	2021-01-12
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde

TQW

TQW
表記:	4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
組成式:	C17 H17 N O4 S
SMILES:	COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C17H17NO4S/c1-22-15-6-9-17-14(11-15)3-2-10-18(17)23(20,21)16-7-4-13(12-19)5-8-16/h4-9,11-12H,2-3,10H2,1H3
定義日:	2021-01-13
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

YP1

YP1
表記:	2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile
組成式:	C24 H25 Cl N2 O2
SMILES:	N#Cc1c(cccc1Cl)OCC(O)CNC(C)(C)Cc1cc2ccccc2cc1
InChi:	InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
定義日:	2021-03-18
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile

WU4

WU4
表記:	(6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one
組成式:	C28 H37 N3 O
SMILES:	N2C(=O)C51N(C(CCC1)C)CC24Cc6c3c(c(ccc3)CC=C(/C)C)nc6C(C)(C)C4C5
InChi:	InChI=1S/C28H37N3O/c1-17(2)11-12-19-9-6-10-20-21-14-27-16-31-18(3)8-7-13-28(31,25(32)30-27)15-22(27)26(4,5)24(21)29-23(19)20/h6,9-11,18,22,29H,7-8,12-16H2,1-5H3,(H,30,32)/t18-,22+,27+,28-/m0/s1
定義日:	2020-11-13
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	(6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one

V0P

V0P
表記:	7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine
組成式:	C24 H25 N5 O2
SMILES:	c1(nc(ccc1)CNCCOc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C24H25N5O2/c25-23-6-1-3-19(28-23)15-27-11-12-30-20-4-2-5-21(14-20)31-16-17-7-8-18-9-10-24(26)29-22(18)13-17/h1-10,13-14,27H,11-12,15-16H2,(H2,25,28)(H2,26,29)
定義日:	2020-06-10
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine

ZB4

ZB4
表記:	N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
組成式:	C23 H31 N3 O3 S
SMILES:	O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c1ccccc1
InChi:	InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m0/s1
定義日:	2021-04-13
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide

S6B

S6B
表記:	3-chloranyl-4-imidazol-1-yl-benzaldehyde
組成式:	C10 H9 Cl N2 O
SMILES:	OCc1ccc(n2ccnc2)c(Cl)c1
InChi:	InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2
定義日:	2020-11-10
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	(3-chloranyl-4-imidazol-1-yl-phenyl)methanol

U9E

U9E
表記:	3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid
組成式:	C21 H17 Cl N2 O2
SMILES:	CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[nH]ccc34
InChi:	InChI=1S/C21H17ClN2O2/c1-2-12-18(15-6-3-4-8-16(15)22)20(21(25)26)24-19(12)14-7-5-9-17-13(14)10-11-23-17/h3-11,23-24H,2H2,1H3,(H,25,26)
定義日:	2021-02-04
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid

HJF

HJF
表記:	5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine
組成式:	C19 H22 N4 O3
SMILES:	COc1cc(ccn1)c2cnn3cc(OC)c(nc23)[CH]4COC(C)(C)C4
InChi:	InChI=1S/C19H22N4O3/c1-19(2)8-13(11-26-19)17-15(24-3)10-23-18(22-17)14(9-21-23)12-5-6-20-16(7-12)25-4/h5-7,9-10,13H,8,11H2,1-4H3/t13-/m1/s1
定義日:	2021-01-14
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	5-[(3~{S})-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine

H43

H43
表記:	2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
組成式:	C24 H26 N2 O2
SMILES:	C[CH](N[CH]1CCN(C1)c2ccc(CC(O)=O)cc2)c3cccc4ccccc34
InChi:	InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
別名:	Evocalcet
定義日:	2020-11-02
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	2-[4-[(3~{S})-3-[[(1~{R})-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid

J6C

J6C
表記:	Miltiradiene
組成式:	C20 H32
SMILES:	CC(C)C1=CCC2=C(CC[CH]3C(C)(C)CCC[C]23C)C1
InChi:	InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1
別名:	(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene
定義日:	2021-04-13
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	(4~{b}~{S},8~{a}~{S})-4~{b},8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8~{a},9,10-octahydrophenanthrene

FO0

FO0
表記:	6-azanyl-11-methyl-2-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
組成式:	C20 H18 N6 O2
SMILES:	C[CH](NC(=O)c1cc2C(=O)N3C=CC=C(C)C3=Nc2nc1N)c4cccnc4
InChi:	InChI=1S/C20H18N6O2/c1-11-5-4-8-26-18(11)25-17-15(20(26)28)9-14(16(21)24-17)19(27)23-12(2)13-6-3-7-22-10-13/h3-10,12H,1-2H3,(H2,21,24)(H,23,27)/t12-/m0/s1
定義日:	2020-06-11
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	6-azanyl-11-methyl-2-oxidanylidene-~{N}-[(1~{S})-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

FTX

FTX
表記:	(1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
組成式:	C21 H21 Cl N2 O3
SMILES:	COc1cc2CCN(C=O)[CH](Cc3c[nH]c4c(Cl)cccc34)c2cc1OC
InChi:	InChI=1S/C21H21ClN2O3/c1-26-19-9-13-6-7-24(12-25)18(16(13)10-20(19)27-2)8-14-11-23-21-15(14)4-3-5-17(21)22/h3-5,9-12,18,23H,6-8H2,1-2H3/t18-/m0/s1
定義日:	2020-06-15
最終更新日:	2021-06-11
公開日:	2021-06-16
識別子（ID）:	(1~{S})-1-[(7-chloranyl-1~{H}-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-carbaldehyde

TGB

TGB
表記:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
組成式:	C18 H23 N6 O13 P3 S
SMILES:	CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C18H23N6O13P3S/c1-20-10-5-3-2-4-9(10)18(26)35-14-11(6-33-38(27,28)36-39(29,30)37-40(31,32)41)34-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,27,28)(H,29,30)(H2,19,21,22)(H2,31,32,41)/t11-,13-,14-,17-/m1/s1
定義日:	2020-12-22
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid

V2K

V2K
表記:	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
組成式:	C16 H14 N2 O2
SMILES:	COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

V2N

V2N
表記:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
組成式:	C16 H14 N2 O2
SMILES:	COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1
InChi:	InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde

V2Q

V2Q
表記:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
組成式:	C12 H13 N O3
SMILES:	COC1CN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde

V2T

V2T
表記:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
組成式:	C12 H11 N3 O2
SMILES:	Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
InChi:	InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide

V2W

V2W
表記:	4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide
組成式:	C16 H15 N O3
SMILES:	COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1
InChi:	InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19)
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide

V3B

V3B
表記:	4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide
組成式:	C15 H19 N3 O3
SMILES:	CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C15H19N3O3/c1-16(2)15(21)18-9-7-17(8-10-18)14(20)13-5-3-12(11-19)4-6-13/h3-6,11H,7-10H2,1-2H3
定義日:	2021-04-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide

V3K

V3K
表記:	4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide
組成式:	C13 H13 N3 O2
SMILES:	Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1
InChi:	InChI=1S/C13H13N3O2/c1-16-8-11(7-15-16)6-14-13(18)12-4-2-10(9-17)3-5-12/h2-5,7-9H,6H2,1H3,(H,14,18)
定義日:	2021-04-09
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide

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