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Summary Geometry Related PDB entries

7VM

Summary

Name:	N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide
Formula:	C28 H34 N4 O2
Formal charge:	0
Formula weight:	458.595 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide
OpenEye OEToolkits	2.0.6	~{N}-methyl-~{N}-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]pyridin-4-yl]methyl]-3-phenoxy-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1CN(CCC1c2nccc(c2)CN(C)C(c4cc(Oc3ccccc3)ccc4)=O)CCNC
InChI	InChI	1.03	InChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3
InChIKey	InChI	1.03	VUIITYLFSAXKIQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNCCN1CCC(CC1)c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2
SMILES	CACTVS	3.385	CNCCN1CCC(CC1)c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4

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