Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 35267 件 BIRD

UXC

UXC
表記:	3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione
組成式:	C18 H20 N6 O3 S
SMILES:	CCN1C(=O)NC(=O)c2n(CC3COC3)c(Cc4cn5cc(C)sc5n4)nc12
InChi:	InChI=1S/C18H20N6O3S/c1-3-23-15-14(16(25)21-17(23)26)24(6-11-8-27-9-11)13(20-15)4-12-7-22-5-10(2)28-18(22)19-12/h5,7,11H,3-4,6,8-9H2,1-2H3,(H,21,25,26)
定義日:	2023-02-14
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione

UXL

UXL
表記:	7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
組成式:	C20 H26 N6 O2
SMILES:	CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc5n4)nc12
InChi:	InChI=1S/C20H26N6O2/c1-2-25-18-17(19(27)23-20(25)28)26(11-13-6-5-7-13)16(22-18)10-14-12-24-9-4-3-8-15(24)21-14/h12-13H,2-11H2,1H3,(H,23,27,28)
定義日:	2023-02-14
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

V5K

V5K
表記:	propan-2-yl 1~{H}-pyrazole-3-carboxylate
組成式:	C7 H10 N2 O2
SMILES:	CC(C)OC(=O)c1cc[nH]n1
InChi:	InChI=1S/C7H10N2O2/c1-5(2)11-7(10)6-3-4-8-9-6/h3-5H,1-2H3,(H,8,9)
定義日:	2023-02-22
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	propan-2-yl 1~{H}-pyrazole-3-carboxylate

V5R

V5R
表記:	5-acetamido-2-chloranyl-benzoic acid
組成式:	C9 H8 Cl N O3
SMILES:	CC(=O)Nc1ccc(Cl)c(c1)C(O)=O
InChi:	InChI=1S/C9H8ClNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
定義日:	2023-02-22
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	5-acetamido-2-chloranyl-benzoic acid

V60

V60
表記:	~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide
組成式:	C8 H13 N3 O
SMILES:	CC(C)CNC(=O)c1cc[nH]n1
InChi:	InChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11)
定義日:	2023-02-22
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide

WRN

WRN
表記:	8-hydroxyquinoline-2-carbonitrile
組成式:	C10 H6 N2 O
SMILES:	Oc1cccc2ccc(C#N)nc12
InChi:	InChI=1S/C10H6N2O/c11-6-8-5-4-7-2-1-3-9(13)10(7)12-8/h1-5,13H
定義日:	2023-10-10
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	8-hydroxyquinoline-2-carbonitrile

WUI

WUI
表記:	3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
組成式:	C26 H27 F3 N6 O
SMILES:	C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CN([CH](C)c4cnn(C)c4)C3=O)C(F)(F)F)c5nncn5C
InChi:	InChI=1S/C26H27F3N6O/c1-16-10-25(11-16,24-32-30-15-33(24)3)20-7-5-6-18(8-20)22-9-21(26(27,28)29)14-35(23(22)36)17(2)19-12-31-34(4)13-19/h5-9,12-17H,10-11H2,1-4H3/t16-,17-,25+/m1/s1
定義日:	2023-10-13
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

WUQ

WUQ
表記:	3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one
組成式:	C20 H19 F3 N4 O
SMILES:	C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CNC3=O)C(F)(F)F)c4nncn4C
InChi:	InChI=1S/C20H19F3N4O/c1-12-8-19(9-12,18-26-25-11-27(18)2)14-5-3-4-13(6-14)16-7-15(20(21,22)23)10-24-17(16)28/h3-7,10-12H,8-9H2,1-2H3,(H,24,28)/t12-,19+
定義日:	2023-10-13
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one

WV8

WV8
表記:	(2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine
組成式:	C13 H18 N2 O
SMILES:	CCC(CC1N=C(N)OC1)c1ccccc1
InChi:	InChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1
定義日:	2023-10-16
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	(4S)-4-[(2S)-2-phenylbutyl]-4,5-dihydro-1,3-oxazol-2-amine

WX0

WX0
表記:	1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one
組成式:	C23 H22 F3 N5 O
SMILES:	C[CH]1C[C](C1)(c2cccc(c2)C3=Cc4c(NC3=O)n(C)cc4C(F)(F)F)c5nncn5C
InChi:	InChI=1S/C23H22F3N5O/c1-13-9-22(10-13,21-29-27-12-31(21)3)15-6-4-5-14(7-15)16-8-17-18(23(24,25)26)11-30(2)19(17)28-20(16)32/h4-8,11-13H,9-10H2,1-3H3,(H,28,32)/t13-,22+
定義日:	2023-10-17
最終更新日:	2024-01-05
公開日:	2024-01-10
識別子（ID）:	1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7~{H}-pyrrolo[2,3-b]pyridin-6-one

KSB

KSB
表記:	lambda-[Ru(tap2-dppz-CN)]2+
組成式:	C39 H21 N13 Ru
SMILES:	N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1
InChi:	InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16
別名:	Cyano-derivative of Ruthenium-dipyridophenazine
定義日:	2016-08-23
最終更新日:	2024-01-03
公開日:	2018-01-17

QHL

QHL
表記:	delta-[Ru(tap2-dppz-CN)]2+
組成式:	C39 H21 N13 Ru
SMILES:	N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1
InChi:	InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16
別名:	Cyano-derivative of Ruthenium-dipyridophenazine
定義日:	2016-11-24
最終更新日:	2024-01-03
公開日:	2018-01-17

9SZ

9SZ
表記:	(1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene
組成式:	C42 H32 O8 P2
SMILES:	O[P](O)(=O)Oc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(O[P](O)(O)=O)c8[CH]9C[CH](c%10cc%11[CH]%12C[CH](c%13ccccc%12%13)c%11cc9%10)c18
InChi:	InChI=1S/C42H32O8P2/c43-51(44,45)49-41-37-33-15-34(30-12-26-22-9-21(25(26)11-29(30)33)17-5-1-2-6-18(17)22)38(37)42(50-52(46,47)48)40-36-16-35(39(40)41)31-13-27-23-10-24(28(27)14-32(31)36)20-8-4-3-7-19(20)23/h1-8,11-14,21-24,33-36H,9-10,15-16H2,(H2,43,44,45)(H2,46,47,48)/t21-,22+,23+,24-,33-,34+,35+,36-
定義日:	2017-07-10
最終更新日:	2024-01-03
公開日:	2017-07-26

YUT

YUT
表記:	{difluoro[(R)-hydroxy{[(1s,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid
組成式:	C7 H19 F2 O26 P7
SMILES:	OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)C(F)(F)P(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
InChi:	InChI=1S/C7H19F2O26P7/c8-7(9,36(10,11)12)37(13,14)30-1-2(31-38(15,16)17)4(33-40(21,22)23)6(35-42(27,28)29)5(34-41(24,25)26)3(1)32-39(18,19)20/h1-6H,(H,13,14)(H2,10,11,12)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)/t1-,2-,3+,4+,5-,6+
定義日:	2023-02-22
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	{difluoro[(R)-hydroxy{[(1s,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphoryl]methyl}phosphonic acid

YX9

YX9
表記:	(5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one
組成式:	C21 H29 F2 N5 O2
SMILES:	FC(F)(c1ccccc1)C(O)CCC1CCC(=O)N1CCCCCCc1nnn[NH]1
InChi:	InChI=1S/C21H29F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,17-18,29H,1-2,6-7,10-15H2,(H,24,25,26,27)/t17-,18+/m0/s1
定義日:	2023-03-02
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	(5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one

Y75

Y75
表記:	(7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione
組成式:	C41 H49 Cl N10 O3 S
SMILES:	Nc1ccc(cn1)c1ccc(Cl)c2Sc3ncccc3CNC(CCCN)C(=O)NC(CCCCN)C(=O)N(C)C(Cc3c[NH]c4ccccc43)C(=O)NCc12
InChi:	InChI=1S/C41H49ClN10O3S/c1-52-35(20-27-23-47-32-10-3-2-9-29(27)32)39(54)50-24-30-28(25-13-16-36(45)49-21-25)14-15-31(42)37(30)56-40-26(8-7-19-46-40)22-48-33(12-6-18-44)38(53)51-34(41(52)55)11-4-5-17-43/h2-3,7-10,13-16,19,21,23,33-35,47-48H,4-6,11-12,17-18,20,22,24,43-44H2,1H3,(H2,45,49)(H,50,54)(H,51,53)/t33-,34-,35-/m0/s1
定義日:	2023-01-09
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	(7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione

ZWS

ZWS
表記:	[(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid
組成式:	C23 H29 N3 O7
SMILES:	O=C(O)CN1C=C(C=CC1=O)N1C(=O)C(=CC=2CCN(CC1=2)C(=O)OCCOC)C(C)CC
InChi:	InChI=1S/C23H29N3O7/c1-4-15(2)18-11-16-7-8-24(23(31)33-10-9-32-3)13-19(16)26(22(18)30)17-5-6-20(27)25(12-17)14-21(28)29/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H,28,29)/t15-/m1/s1
定義日:	2023-04-13
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	[(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid

FEI

FEI
表記:	2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid
組成式:	C37 H46 N6 O10 S2
SMILES:	CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C
InChi:	InChI=1S/C37H46N6O10S2/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30/h7-8,17-18,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,43,46)(H,48,49,50)(H,51,52,53)/b30-17+,31-18-
別名:	bilirubin ditaurate
定義日:	2023-07-05
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	2-[3-[5-[(~{E})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoylamino]ethanesulfonic acid

MG3

MG3
表記:	(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione
組成式:	C36 H44 Cl2 N8 O3 S
SMILES:	Clc1ccc(Cl)c2CNC(=O)C(Cc3c[NH]c4ccccc43)N(C)C(=O)C(CCCCN)NC(=O)C(NCc3cccnc3Sc12)CCCN
InChi:	InChI=1S/C36H44Cl2N8O3S/c1-46-31(18-23-20-42-28-10-3-2-9-24(23)28)34(48)44-21-25-26(37)13-14-27(38)32(25)50-35-22(8-7-17-41-35)19-43-29(12-6-16-40)33(47)45-30(36(46)49)11-4-5-15-39/h2-3,7-10,13-14,17,20,29-31,42-43H,4-6,11-12,15-16,18-19,21,39-40H2,1H3,(H,44,48)(H,45,47)/t29-,30-,31-/m0/s1
定義日:	2023-01-09
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	(7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione

I7M

I7M
表記:	3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide
組成式:	C41 H47 N7 O5
SMILES:	COc1nc(O[CH]2CCc3c2cccc3c4cccc(C(=O)Nc5ccc(CNC[CH]6CCC(=O)N6)cn5)c4C)c(C)cc1CNC[CH]7CCC(=O)N7
InChi:	InChI=1S/C41H47N7O5/c1-24-18-27(21-43-23-29-12-17-38(50)46-29)41(52-3)48-40(24)53-35-14-13-33-32(8-5-9-34(33)35)30-6-4-7-31(25(30)2)39(51)47-36-15-10-26(20-44-36)19-42-22-28-11-16-37(49)45-28/h4-10,15,18,20,28-29,35,42-43H,11-14,16-17,19,21-23H2,1-3H3,(H,45,49)(H,46,50)(H,44,47,51)/t28-,29-,35-/m0/s1
定義日:	2023-07-27
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide

EKY

EKY
表記:	2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline
組成式:	C21 H19 F2 N O3
SMILES:	Fc1cc(COc2ccc(cc2)Oc2ccc(cc2N)OCC)c(F)cc1
InChi:	InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3
定義日:	2023-04-26
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline

7XZ

7XZ
表記:	2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid
組成式:	C18 H19 N O8
SMILES:	COc1ccc2C(=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)Oc2c1)C
InChi:	InChI=1S/C18H19NO8/c1-10-12-4-3-11(26-2)7-14(12)27-18(25)13(10)5-6-15(20)19(8-16(21)22)9-17(23)24/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24)
別名:	ZINC2104681
定義日:	2023-03-15
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid

PQX

PQX
表記:	1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
組成式:	C18 H21 N O2
SMILES:	C[CH](N1CCC(CC1)C(O)=O)c2cccc3ccccc23
InChi:	InChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1
定義日:	2023-03-07
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid

U4I

U4I
表記:	N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide
組成式:	C19 H21 F2 N3 O4 S
SMILES:	O=S(=O)(N(C)CC(=O)Nc1cccc(NC(C)=O)c1)c1cc(C)cc(c1)C(F)F
InChi:	InChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26)
定義日:	2023-08-30
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide

U7D

U7D
表記:	1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
組成式:	C14 H12 F3 N3 S
SMILES:	Cc1ccnc(NC(=S)Nc2cccc(c2)C(F)(F)F)c1
InChi:	InChI=1S/C14H12F3N3S/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
別名:	CHEMBL2134995
定義日:	2023-09-07
最終更新日:	2023-12-29
公開日:	2024-01-03
識別子（ID）:	1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea

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