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Summary Geometry Related PDB entries

JF0

Summary

Name:	1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(
Formula:	C26 H29 N3 O2
Formal charge:	0
Formula weight:	415.527 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-{5-[(3'-methylbiphenyl-4-yl)oxy]pentyl}-3-(pyridin-4-yl)imidazolidin-2-one
OpenEye OEToolkits	1.9.2	1-[5-[4-(3-methylphenyl)phenoxy]pentyl]-3-pyridin-4-yl-imidazolidin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N(c1ccncc1)CCN2CCCCCOc4ccc(c3cccc(c3)C)cc4
InChI	InChI	1.03	InChI=1S/C26H29N3O2/c1-21-6-5-7-23(20-21)22-8-10-25(11-9-22)31-19-4-2-3-16-28-17-18-29(26(28)30)24-12-14-27-15-13-24/h5-15,20H,2-4,16-19H2,1H3
InChIKey	InChI	1.03	CVCFJWDRTKFPMW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc(c1)c2ccc(OCCCCCN3CCN(C3=O)c4ccncc4)cc2
SMILES	CACTVS	3.385	Cc1cccc(c1)c2ccc(OCCCCCN3CCN(C3=O)c4ccncc4)cc2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4
SMILES	OpenEye OEToolkits	1.9.2	Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4

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