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

ILJ

ILJ
表記:	(E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
組成式:	C34 H43 Cl N3 O5 Si
SMILES:	C[NH+]=C1C=CC2=C(c3cc(ccc3C(O)=O)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1
InChi:	InChI=1S/C34H42ClN3O5Si/c1-37-25-10-13-28-31(22-25)44(2,3)30-21-24(36)9-12-27(30)32(28)29-20-23(8-11-26(29)34(40)41)33(39)38-15-17-43-19-18-42-16-7-5-4-6-14-35/h8-13,20-22H,4-7,14-19,36H2,1-3H3,(H,38,39)(H,40,41)/p+1/b37-25+
別名:	HaloTag with TRaQ-G-ctrl ligand
定義日:	2022-03-31
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	(~{E})-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium

ILQ

ILQ
表記:	(10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide
組成式:	C35 H42 Cl N5 O4 Si
SMILES:	CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl
InChi:	InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1
定義日:	2022-04-06
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	(10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide

WZN

WZN
表記:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
組成式:	C54 H47 Ir N7 O3
SMILES:	CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C24H27N5O3.2C15H10N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
定義日:	2022-10-24
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X0E

X0E
表記:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium
組成式:	C54 H47 Ir N7 O3
SMILES:	CC(C)(C)OC(=O)NC(Cc1ccncc1)C(=O)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C24H27N5O3.2C15H10N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
定義日:	2022-10-25
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X1C

X1C
表記:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
組成式:	C49 H38 Ir N6 O
SMILES:	O=C(CCc1ccncc1)NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C19H18N4O.2C15H10N.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
定義日:	2022-10-25
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X1I

X1I
表記:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
組成式:	C46 H37 F4 Ir N7 O3
SMILES:	Fc1cc2c(c(F)c1)c1ccccn1[Ir+]212(c3cc(F)cc(F)c3c3ccccn31)n1ccccc1c1ccc(cn12)/C=NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccncc1
InChi:	InChI=1S/C24H25N5O3.2C11H6F2N.Ir/c1-24(2,3)32-23(31)29-21(14-17-9-12-25-13-10-17)22(30)28-16-18-7-8-20(27-15-18)19-6-4-5-11-26-19
定義日:	2022-10-25
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	{tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X1O

X1O
表記:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
組成式:	C41 H30 F4 Ir N6 O
SMILES:	Fc1cc2c(c(F)c1)c1ccccn1[Ir+]212(c3cc(F)cc(F)c3c3ccccn31)n1ccccc1c1ccc(cn12)CNC(=O)CCc1ccncc1
InChi:	InChI=1S/C19H18N4O.2C11H6F2N.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
定義日:	2022-10-25
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X2B

X2B
表記:	{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)
組成式:	C56 H43 Ir N7 O2
SMILES:	O=C(NCc1ccc2c3ccccn3[Ir+]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)C(NC(=O)c1ccccc1)Cc1ccncc1
InChi:	InChI=1S/C26H23N5O2.2C15H10N.Ir/c32-25(21-6-2-1-3-7-21)31-24(16-19-11-14-27-15-12-19)26(33)30-18-20-9-10-23(29-17-20)22-8-4-5-13-28-22
定義日:	2022-10-25
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	{N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

X2Q

X2Q
表記:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
組成式:	C53 H38 Ir N6 O S2
SMILES:	O=C(CCc1ccncc1)NCc1ccc2c3ccccn3[Ir+]34(c5c6ccccc6sc5c5ccc6ccccc6n53)(c3c5ccccc5sc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C19H18N4O.2C17H10NS.Ir/c24-19(7-5-15-8-11-20-12-9-15)23-14-16-4-6-18(22-13-16)17-3-1-2-10-21-17
定義日:	2022-10-26
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)

X4E

X4E
表記:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)
組成式:	C53 H38 Ir N6 O S2
SMILES:	O=C(CCc1cccnc1)NCc1ccc2c3ccccn3[Ir+]34(c5c6ccccc6sc5c5ccc6ccccc6n53)(c3c5ccccc5sc3c3ccc5ccccc5n34)n2c1
InChi:	InChI=1S/C19H18N4O.2C17H10NS.Ir/c24-19(9-7-15-4-3-10-20-12-15)23-14-16-6-8-18(22-13-16)17-5-1-2-11-21-17
定義日:	2022-10-26
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	{N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)

XEH

XEH
表記:	(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine
組成式:	C13 H10 Cl F N2
SMILES:	Clc1ccc(/C=N/Nc2ccc(F)cc2)cc1
InChi:	InChI=1S/C13H10ClFN2/c14-11-3-1-10(2-4-11)9-16-17-13-7-5-12(15)6-8-13/h1-9,17H/b16-9+
定義日:	2022-11-14
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	(1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine

XEL

XEL
表記:	(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine
組成式:	C13 H10 Cl F N2
SMILES:	Clc1ccc(/C=N/Nc2cccc(F)c2)cc1
InChi:	InChI=1S/C13H10ClFN2/c14-11-6-4-10(5-7-11)9-16-17-13-3-1-2-12(15)8-13/h1-9,17H
定義日:	2022-11-14
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	(1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine

XEW

XEW
表記:	N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide
組成式:	C11 H16 Cl N5
SMILES:	Clc1ccc(NC(=N)NC(=N)NC(C)C)cc1
InChi:	InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)
定義日:	2022-11-14
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide

XF2

XF2
表記:	(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide
組成式:	C8 H9 Cl N4
SMILES:	Clc1ccc(/C=N/NC(=N)N)cc1
InChi:	InChI=1S/C8H9ClN4/c9-7-3-1-6(2-4-7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
定義日:	2022-11-14
最終更新日:	2023-01-27
公開日:	2023-02-01
識別子（ID）:	(2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide

7N5

7N5
表記:	2-Ketohexanoic acid
組成式:	C6 H10 O3
SMILES:	CCCCC(=O)C(O)=O
InChi:	InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
定義日:	2016-11-23
最終更新日:	2023-01-25
公開日:	2018-05-02
識別子（ID）:	2-oxidanylidenehexanoic acid

WBV

WBV
表記:	(2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
組成式:	C27 H31 Cl N4 O3
SMILES:	Cc3nc4n(Cc1cnn(C)c1)c(C)c(C)c4c(c2ccc(cc2)Cl)c3C(C(O)=O)OC(C)(C)C
InChi:	InChI=1S/C27H31ClN4O3/c1-15-17(3)32(14-18-12-29-31(7)13-18)25-21(15)23(19-8-10-20(28)11-9-19)22(16(2)30-25)24(26(33)34)35-27(4,5)6/h8-13,24H,14H2,1-7H3,(H,33,34)/t24-/m0/s1
別名:	Pirmitegravir
定義日:	2020-10-12
最終更新日:	2023-01-25
公開日:	2021-09-22
識別子（ID）:	(2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid

2I9

2I9
表記:	(~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide
組成式:	C28 H28 N2 O5 S
SMILES:	CN(C)C(=O)C=CCNCCOc1ccc(Oc2c(sc3cc(O)ccc23)c4ccc(O)cc4)cc1
InChi:	InChI=1S/C28H28N2O5S/c1-30(2)26(33)4-3-15-29-16-17-34-22-10-12-23(13-11-22)35-27-24-14-9-21(32)18-25(24)36-28(27)19-5-7-20(31)8-6-19/h3-14,18,29,31-32H,15-17H2,1-2H3/b4-3-
定義日:	2022-01-27
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	(~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide

5Z6

5Z6
表記:	4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid
組成式:	C24 H28 O3
SMILES:	CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)C=Cc2ccc(cc2)C(O)=O
InChi:	InChI=1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+
定義日:	2022-02-04
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	4-[(~{E})-3-(3,5-di~{tert}-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

5ZV

5ZV
表記:	[[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
組成式:	C21 H27 F N7 O13 P2
SMILES:	NC(=O)c1ccc[n](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F
InChi:	InChI=1S/C21H27FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t10-,11-,12+,14-,15-,16-,20-,21-/m1/s1
定義日:	2022-02-10
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	[[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

5ZY

5ZY
表記:	[[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
組成式:	C21 H32 N8 O14 P2
SMILES:	N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C=O
InChi:	InChI=1S/C21H32N8O14P2/c22-9(4-30)2-1-3-28-20-16(42-21(28)24)14(32)11(41-20)6-39-45(36,37)43-44(34,35)38-5-10-13(31)15(33)19(40-10)29-8-27-12-17(23)25-7-26-18(12)29/h4,7-11,13-16,19-20,24,31-33H,1-3,5-6,22H2,(H,34,35)(H,36,37)(H2,23,25,26)/b24-21-/t9-,10-,11-,13-,14-,15-,16-,19-,20+/m1/s1
定義日:	2022-02-10
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	[[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

GFI

GFI
表記:	N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide
組成式:	C19 H19 F3 N4 O4
SMILES:	CN(C)C(=O)c1cc(on1)CCCOc1ccc(cc1C)c1nc(on1)C(F)(F)F
InChi:	InChI=1S/C19H19F3N4O4/c1-11-9-12(16-23-18(30-25-16)19(20,21)22)6-7-15(11)28-8-4-5-13-10-14(24-29-13)17(27)26(2)3/h6-7,9-10H,4-5,8H2,1-3H3
定義日:	2021-12-21
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide

GH9

GH9
表記:	(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
組成式:	C10 H16 O
SMILES:	CC12CCC(CC2O1)C(=C)C
InChi:	InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
別名:	+(-)-limonene oxide
定義日:	2021-12-21
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	(1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

GHI

GHI
表記:	(1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane
組成式:	C10 H16 O
SMILES:	CC12CCC(CC2O1)C(=C)C
InChi:	InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1
別名:	-(-) limonene oxide
定義日:	2021-12-21
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	(1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane

I1B

I1B
表記:	6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
組成式:	C10 H9 N3 S
SMILES:	Cc1cc(C)c2n3cnnc3sc2c1
InChi:	InChI=1S/C10H9N3S/c1-6-3-7(2)9-8(4-6)14-10-12-11-5-13(9)10/h3-5H,1-2H3
別名:	5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
定義日:	2022-02-08
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

I1Q

I1Q
表記:	6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
組成式:	C9 H7 N3 S
SMILES:	Cc1ccc2n3cnnc3sc2c1
InChi:	InChI=1S/C9H7N3S/c1-6-2-3-7-8(4-6)13-9-11-10-5-12(7)9/h2-5H,1H3
別名:	7-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
定義日:	2022-02-08
最終更新日:	2023-01-20
公開日:	2023-01-25
識別子（ID）:	6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

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