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Summary Geometry Related PDB entries

H8C

Summary

Name:	6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one
Formula:	C24 H20 N2 O2
Formal charge:	0
Formula weight:	368.428 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1~{R})-1-phenylethyl]benzo[cd]indol-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C24H20N2O2/c1-14-22(16(3)28-25-14)19-12-13-21-23-18(19)10-7-11-20(23)24(27)26(21)15(2)17-8-5-4-6-9-17/h4-13,15H,1-3H3/t15-/m1/s1
InChIKey	InChI	1.03	ZZRITBGIUCLKNF-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5ccccc5
SMILES	CACTVS	3.385	C[CH](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3[C@H](C)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3C(C)c5ccccc5

222415

數據於2024-07-10公開中

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