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PDB ウェブページステータス検索化合物検索: 36426 件 BIRD

UWQ

UWQ
表記:	4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
組成式:	C13 H17 N O4 S
SMILES:	COC1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H17NO4S/c1-18-12-6-8-14(9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3
定義日:	2021-03-24
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde

UXN

UXN
表記:	4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide
組成式:	C13 H17 N O4 S
SMILES:	CN(C1CCOCC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H17NO4S/c1-14(12-6-8-18-9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3
別名:	4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide
定義日:	2021-03-25
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-methanoyl-~{N}-methyl-~{N}-(oxan-4-yl)benzenesulfonamide

UYG

UYG
表記:	(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione
組成式:	C16 H19 N3 O2
SMILES:	c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23
InChi:	InChI=1S/C16H19N3O2/c1-9(2)14-16(21)18-13(15(20)19-14)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,17H,7H2,1-2H3,(H,18,21)(H,19,20)/t13-,14-/m0/s1
定義日:	2020-06-05
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione

UYM

UYM
表記:	(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione
組成式:	C22 H20 N4 O2
SMILES:	n4cc(CC3C(NC(Cc2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5
InChi:	InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1
定義日:	2020-06-05
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	(3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione

V0A

V0A
表記:	(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione
組成式:	C22 H27 N O5
SMILES:	C2(C)C1CC=C(C(O1)(C)OC2C(C)[C@H]=C(C)[C@H]=[C@H]/C(O)=C3/C(C=NC3=O)=O)C
InChi:	InChI=1S/C22H27NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10-11,13,15,18,20,24H,9H2,1-5H3/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1
別名:	Tirandamycin C
定義日:	2020-06-09
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	(3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione

S5K

S5K
表記:	[(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid
組成式:	C17 H20 B N O5
SMILES:	OB(O)[CH](Cc1coc2ccccc12)NC(=O)[CH]3C[CH]4CC[CH]3O4
InChi:	InChI=1S/C17H20BNO5/c20-17(13-8-11-5-6-15(13)24-11)19-16(18(21)22)7-10-9-23-14-4-2-1-3-12(10)14/h1-4,9,11,13,15-16,21-22H,5-8H2,(H,19,20)/t11-,13-,15+,16+/m1/s1
別名:	[(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid
定義日:	2020-11-08
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	[(1~{R})-2-(1-benzofuran-3-yl)-1-[[(1~{S},2~{R},4~{R})-7-oxabicyclo[2.2.1]heptan-2-yl]carbonylamino]ethyl]boronic acid

V0Q

V0Q
表記:	[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol
組成式:	C13 H20 N2 O3 S
SMILES:	CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2
InChi:	InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3
定義日:	2021-04-01
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol

V0T

V0T
表記:	1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
組成式:	C12 H17 N O4 S
SMILES:	OCc1ccc(cc1)[S](=O)(=O)N2CCC(O)CC2
InChi:	InChI=1S/C12H17NO4S/c14-9-10-1-3-12(4-2-10)18(16,17)13-7-5-11(15)6-8-13/h1-4,11,14-15H,5-9H2
定義日:	2021-04-01
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol

V0W

V0W
表記:	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
組成式:	C13 H20 N2 O2 S
SMILES:	CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2
InChi:	InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3
定義日:	2021-04-01
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane

V1H

V1H
表記:	3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine
組成式:	C11 H15 N O3 S
SMILES:	COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2
InChi:	InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3
定義日:	2021-04-06
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine

V1K

V1K
表記:	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole
組成式:	C15 H13 Cl N2 O3 S
SMILES:	COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3
InChi:	InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3
定義日:	2021-04-06
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole

V1Q

V1Q
表記:	4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide
組成式:	C11 H13 N3 O2 S
SMILES:	Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1
InChi:	InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13)
定義日:	2021-04-06
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide

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

UON

UON
表記:	4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
組成式:	C15 H11 Cl N2 O2
SMILES:	COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3
InChi:	InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3
定義日:	2021-03-03
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde

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

HJ9

HJ9
表記:	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
組成式:	C23 H21 B N4 O5
SMILES:	COc1cc(B(O)O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C
InChi:	InChI=1S/C23H21BN4O5/c1-28(2)23(30)15-4-13(8-25-9-15)14-5-18-19(11-27-22(18)26-10-14)17-6-16(12-29)20(24(31)32)7-21(17)33-3/h4-12,31-32H,1-3H3,(H,26,27)
定義日:	2021-01-13
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid

UOT

UOT
表記:	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
組成式:	C15 H11 Cl N2 O2
SMILES:	COc1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1
InChi:	InChI=1S/C15H11ClN2O2/c1-20-12-6-7-13-14(8-12)18(15(16)17-13)11-4-2-10(9-19)3-5-11/h2-9H,1H3
定義日:	2021-03-03
最終更新日:	2021-06-04
公開日:	2021-06-09
識別子（ID）:	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde

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

V3N

V3N
表記:	4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide
組成式:	C14 H17 N O3
SMILES:	O=Cc1ccc(cc1)C(=O)NCC2CCOCC2
InChi:	InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17)
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}-(oxan-4-ylmethyl)benzamide

V3Q

V3Q
表記:	4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide
組成式:	C16 H15 N O3
SMILES:	COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1
InChi:	InChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19)
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}-[(3-methoxyphenyl)methyl]benzamide

V3T

V3T
表記:	4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide
組成式:	C13 H13 N3 O2
SMILES:	Cn1ccnc1CNC(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18)
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-methylimidazol-2-yl)methyl]benzamide

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