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Summary Geometry Related PDB entries

A1IV2

Summary

Name:	[2,3-bis(chloranyl)phenyl]-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone
Formula:	C23 H24 Cl2 N2 O3
Formal charge:	0
Formula weight:	447.354 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[2,3-bis(chloranyl)phenyl]-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
InChIKey	InChI	1.06	FSFZRNZSZYDVLI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2n(c(C)c(CCN3CCOCC3)c2c1)C(=O)c4cccc(Cl)c4Cl
SMILES	CACTVS	3.385	COc1ccc2n(c(C)c(CCN3CCOCC3)c2c1)C(=O)c4cccc(Cl)c4Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c2cc(ccc2n1C(=O)c3cccc(c3Cl)Cl)OC)CCN4CCOCC4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c2cc(ccc2n1C(=O)c3cccc(c3Cl)Cl)OC)CCN4CCOCC4

246905

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