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Summary Geometry Related PDB entries

QQS

Summary

Name:	2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Formula:	C31 H49 N5 O2
Formal charge:	0
Formula weight:	523.753 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	3.1.0.0	2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)34(3)31-26-21-28(37-4)29(38-20-10-17-35-15-8-9-16-35)22-27(26)32-30(33-31)24-11-6-5-7-12-24/h21-25H,5-20H2,1-4H3
InChIKey	InChI	1.06	ATORKVYCKKBNTF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2c(cc1OCCCN3CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5
SMILES	CACTVS	3.385	COc1cc2c(cc1OCCCN3CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC(C)N1CCC(CC1)N(C)c2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)N1CCC(CC1)N(C)c2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC

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