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PDB ウェブページステータス検索化合物検索: 39836 件 BIRD

B9H

B9H
表記:	2'-methyl, 3-propyl, cytidine-5'-monophosphate
組成式:	C13 H24 N3 O8 P
SMILES:	CCCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC)C1=O
InChi:	InChI=1S/C13H24N3O8P/c1-3-5-15-9(14)4-6-16(13(15)18)12-11(22-2)10(17)8(24-12)7-23-25(19,20)21/h4,6,8-12,17H,3,5,7,14H2,1-2H3,(H2,19,20,21)/t8-,9-,10-,11-,12-/m1/s1
定義日:	2017-09-26
最終更新日:	2019-05-06
公開日:	2018-01-24
識別子（ID）:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-3-propyl-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

SXE

SXE
表記:	O-{(S)-ETHOXY[(1-METHYLETHYL)AMINO]PHOSPHORYL}-L-SERINE
組成式:	C8 H19 N2 O5 P
SMILES:	O=P(OCC)(OCC(N)C(=O)O)NC(C)C
InChi:	InChI=1S/C8H19N2O5P/c1-4-14-16(13,10-6(2)3)15-5-7(9)8(11)12/h6-7H,4-5,9H2,1-3H3,(H,10,13)(H,11,12)/t7-,16-/m0/s1
定義日:	2007-02-13
最終更新日:	2019-05-06
識別子（ID）:	O-{(S)-ethoxy[(1-methylethyl)amino]phosphoryl}-L-serine

G3S

G3S
表記:	4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid
組成式:	C22 H23 N O4 S
SMILES:	C(c1ccc(C(O)=O)cc1)CSc3ccc2c(C(C(=O)N2CCCCC)=O)c3
InChi:	InChI=1S/C22H23NO4S/c1-2-3-4-12-23-19-10-9-17(14-18(19)20(24)21(23)25)28-13-11-15-5-7-16(8-6-15)22(26)27/h5-10,14H,2-4,11-13H2,1H3,(H,26,27)
定義日:	2018-05-04
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid

J08

J08
表記:	4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
組成式:	C23 H22 N6 O
SMILES:	NC(=N)c1ccc(NCc2[nH]c(cn2)c3ccccc3)cc1OCc4cccnc4
InChi:	InChI=1S/C23H22N6O/c24-23(25)19-9-8-18(11-21(19)30-15-16-5-4-10-26-12-16)27-14-22-28-13-20(29-22)17-6-2-1-3-7-17/h1-13,27H,14-15H2,(H3,24,25)(H,28,29)
定義日:	2019-01-10
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide

LD7

LD7
表記:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
組成式:	C12 H12 F N3 O2
SMILES:	n2oc(C(NCc1ccc(F)cc1)=O)nc2CC
InChi:	InChI=1S/C12H12FN3O2/c1-2-10-15-12(18-16-10)11(17)14-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17)
定義日:	2019-02-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

GFE

GFE
表記:	1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
組成式:	C11 H13 Cl2 N5
SMILES:	CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)
定義日:	2018-09-17
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

GJQ

GJQ
表記:	(2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine
組成式:	C15 H12 Cl2 N6 O2
SMILES:	NC1=N[CH](N(C(=N1)N)c2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+]([O-])=O
InChi:	InChI=1S/C15H12Cl2N6O2/c16-11-6-5-10(7-12(11)17)22-13(20-14(18)21-15(22)19)8-1-3-9(4-2-8)23(24)25/h1-7,13H,(H4,18,19,20,21)/t13-/m1/s1
定義日:	2018-09-18
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	(2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine

FFW

FFW
表記:	4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
組成式:	C20 H16 Cl N3 O4
SMILES:	COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C20H16ClN3O4/c1-11-15(10-17-19(25)23-28-22-17)16-9-14(27-2)7-8-18(16)24(11)20(26)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,23,25)
定義日:	2018-06-27
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one

JRT

JRT
表記:	2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide
組成式:	C17 H17 N3 O
SMILES:	O=C(Cn1cnc2ccccc12)NCCc3ccccc3
InChi:	InChI=1S/C17H17N3O/c21-17(18-11-10-14-6-2-1-3-7-14)12-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)
定義日:	2019-03-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide

JRW

JRW
表記:	(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
組成式:	C19 H26 N2 O2
SMILES:	CC(C)[C]12C[C](O)(N(C3CCC3)C1=O)c4ccc(C)cc4CN2
InChi:	InChI=1S/C19H26N2O2/c1-12(2)18-11-19(23,21(17(18)22)15-5-4-6-15)16-8-7-13(3)9-14(16)10-20-18/h7-9,12,15,20,23H,4-6,10-11H2,1-3H3/t18-,19-/m0/s1
定義日:	2019-03-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	(1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one

JSB

JSB
表記:	(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
組成式:	C17 H22 N2 O2
SMILES:	CC(C)[C]12C[C](O)(N(C3CC3)C1=O)c4ccccc4CN2
InChi:	InChI=1S/C17H22N2O2/c1-11(2)16-10-17(21,19(15(16)20)13-7-8-13)14-6-4-3-5-12(14)9-18-16/h3-6,11,13,18,21H,7-10H2,1-2H3/t16-,17-/m0/s1
定義日:	2019-03-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	(1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one

JSN

JSN
表記:	(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide
組成式:	C14 H15 F2 N3 O2
SMILES:	CN(C)C(=O)[CH]1[CH](NC(=O)N=C1C)c2ccc(F)cc2F
InChi:	InChI=1S/C14H15F2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)9-5-4-8(15)6-10(9)16/h4-6,11-12H,1-3H3,(H,18,21)/t11-,12-/m1/s1
定義日:	2019-03-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	(6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide

KHY

KHY
表記:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
組成式:	C29 H28 Cl F6 N5 O2
SMILES:	c32c(c(CN1CCC(CC1)C(F)(F)F)c(nc2ccc(c3)C(c4cnc(C)n4C)(O)c5ccnc(c5)C(F)(F)F)OC)Cl
InChi:	InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1
定義日:	2018-12-10
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol

MHG

MHG
表記:	2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate
組成式:	C17 H30 N5 O8 P
SMILES:	CC[CH](C)CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)NC
InChi:	InChI=1S/C17H30N5O8P/c1-4-9(2)5-6-21-8-22(14-11(21)15(25)20-17(18-3)19-14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h9-10,12-13,16,23-24H,4-8H2,1-3H3,(H2,26,27,28)(H2,18,19,20,25)/t9-,10+,12+,13+,16+/m0/s1
定義日:	2017-09-25
最終更新日:	2019-05-03
公開日:	2018-01-24
識別子（ID）:	[(2~{R},3~{S},4~{R},5~{R})-5-[2-(methylamino)-7-[(3~{S})-3-methylpentyl]-6-oxidanylidene-1,8-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

KR7

KR7
表記:	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
組成式:	C21 H15 Cl F3 N O2
SMILES:	C(c2cc(C(F)(F)F)nc(c1cccc(c1)Cl)c2)c3ccc(cc3)CC(=O)O
InChi:	InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
定義日:	2019-01-08
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid

KT4

KT4
表記:	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:	C17 H16 N2 O4
SMILES:	C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3ccc(cc3O)O
InChi:	InChI=1S/C17H16N2O4/c20-11-7-6-10(14(21)9-11)3-2-8-18-13-5-1-4-12-15(13)17(23)19-16(12)22/h1,4-7,9,18,20-21H,2-3,8H2,(H,19,22,23)
定義日:	2019-01-13
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KT7

KT7
表記:	5-hydroxy-1H-isoindole-1,3(2H)-dione
組成式:	C8 H5 N O3
SMILES:	c1c(ccc2C(NC(c12)=O)=O)O
InChi:	InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12)
定義日:	2019-01-13
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	5-hydroxy-1H-isoindole-1,3(2H)-dione

KTG

KTG
表記:	4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:	C17 H16 N2 O3
SMILES:	C(CCNc2cccc1C(=O)NC(c12)=O)c3ccc(cc3)O
InChi:	InChI=1S/C17H16N2O3/c20-12-8-6-11(7-9-12)3-2-10-18-14-5-1-4-13-15(14)17(22)19-16(13)21/h1,4-9,18,20H,2-3,10H2,(H,19,21,22)
定義日:	2019-01-13
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KTM

KTM
表記:	4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:	C15 H12 N2 O3
SMILES:	c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O
InChi:	InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20)
定義日:	2019-01-13
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

KTV

KTV
表記:	4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:	C15 H12 N2 O3
SMILES:	C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3
InChi:	InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20)
定義日:	2019-01-13
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

LDD

LDD
表記:	(azepan-1-yl)(4-methoxyphenyl)methanone
組成式:	C14 H19 N O2
SMILES:	N1(CCCCCC1)C(c2ccc(cc2)OC)=O
InChi:	InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
定義日:	2019-02-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	(azepan-1-yl)(4-methoxyphenyl)methanone

LDJ

LDJ
表記:	2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide
組成式:	C10 H15 N3 O2 S
SMILES:	N(/C(C(C)C)=O)=C2NN=C(C1OCCC1)S2
InChi:	InChI=1S/C10H15N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)/t7-/m0/s1
定義日:	2019-02-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide

LDS

LDS
表記:	N-(4-ethoxyphenyl)pyrazine-2-carboxamide
組成式:	C13 H13 N3 O2
SMILES:	n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2
InChi:	InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
定義日:	2019-02-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	N-(4-ethoxyphenyl)pyrazine-2-carboxamide

LDV

LDV
表記:	3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
組成式:	C15 H20 N2
SMILES:	N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
InChi:	InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
定義日:	2019-02-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

LE7

LE7
表記:	N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide
組成式:	C14 H16 F N3 O
SMILES:	n1c(cc(CCC)n1)C(NCc2ccc(cc2)F)=O
InChi:	InChI=1S/C14H16FN3O/c1-2-3-12-8-13(18-17-12)14(19)16-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,19)(H,17,18)
定義日:	2019-02-22
最終更新日:	2019-05-03
公開日:	2019-05-08
識別子（ID）:	N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide

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