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Summary Geometry Related PDB entries

75P

Summary

Name:	7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine
Formula:	C24 H38 N6 O2
Formal charge:	0
Formula weight:	442.598 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine
OpenEye OEToolkits	2.0.5	7-(2-azanylethoxy)-6-methoxy-2-pyrrolidin-1-yl-~{N}-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c12cc(OCCN)c(OC)cc1c(nc(n2)N3CCCC3)NCCCCCN4CCCC4
InChI	InChI	1.03	InChI=1S/C24H38N6O2/c1-31-21-17-19-20(18-22(21)32-16-9-25)27-24(30-14-7-8-15-30)28-23(19)26-10-3-2-4-11-29-12-5-6-13-29/h17-18H,2-16,25H2,1H3,(H,26,27,28)
InChIKey	InChI	1.03	UEDAXBZCRLISHC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OCCN)N4CCCC4
SMILES	CACTVS	3.385	COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OCCN)N4CCCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4
SMILES	OpenEye OEToolkits	2.0.5	COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4

219140

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