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Summary Geometry Related PDB entries

L8F

Summary

Name:	N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
Formula:	C19 H26 N4 O2
Formal charge:	0
Formula weight:	342.435 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
OpenEye OEToolkits	2.0.7	~{N}-[2-[7-[(4-ethanoylpiperazin-1-yl)methyl]-1~{H}-indol-3-yl]ethyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C)=O)cccc21
InChI	InChI	1.06	InChI=1S/C19H26N4O2/c1-14(24)20-7-6-16-12-21-19-17(4-3-5-18(16)19)13-22-8-10-23(11-9-22)15(2)25/h3-5,12,21H,6-11,13H2,1-2H3,(H,20,24)
InChIKey	InChI	1.06	KKPILUQDBWPVTM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)NCCc1c[nH]c2c(CN3CCN(CC3)C(C)=O)cccc12
SMILES	CACTVS	3.385	CC(=O)NCCc1c[nH]c2c(CN3CCN(CC3)C(C)=O)cccc12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)NCCc1c[nH]c2c1cccc2CN3CCN(CC3)C(=O)C
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCCc1c[nH]c2c1cccc2CN3CCN(CC3)C(=O)C

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