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Summary Geometry Related PDB entries

D0E

Summary

Name:	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one
Formula:	C22 H29 N3 O4
Formal charge:	0
Formula weight:	399.483 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H29N3O4/c1-27-20-7-6-17(16-21(20)29-18-4-2-3-5-18)19-8-10-25(23-19)11-9-22(26)24-12-14-28-15-13-24/h6-8,10,16,18H,2-5,9,11-15H2,1H3
InChIKey	InChI	1.03	LZJDBIMGCFIYOI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4CCOCC4)n3
SMILES	CACTVS	3.385	COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4CCOCC4)n3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4

222415

PDB entries from 2024-07-10

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