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Summary Geometry Related PDB entries

QEU

Summary

Name:	4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol
Formula:	C18 H26 N4 O3
Formal charge:	0
Formula weight:	346.424 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol
OpenEye OEToolkits	2.0.7	4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc2c(cc1OC)ncnc2N1CCN(CCCCO)CC1
InChI	InChI	1.03	InChI=1S/C18H26N4O3/c1-24-16-11-14-15(12-17(16)25-2)19-13-20-18(14)22-8-6-21(7-9-22)5-3-4-10-23/h11-13,23H,3-10H2,1-2H3
InChIKey	InChI	1.03	AUJDIJFFUZNFMZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2ncnc(N3CCN(CCCCO)CC3)c2cc1OC
SMILES	CACTVS	3.385	COc1cc2ncnc(N3CCN(CCCCO)CC3)c2cc1OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)CCCCO
SMILES	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)CCCCO

223166

PDB entries from 2024-07-31

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