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Summary Geometry Related PDB entries

IEU

Summary

Name:	6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline
Formula:	C23 H22 Cl N5 O2
Formal charge:	0
Formula weight:	435.906 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	6-chloro-2-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)quinazoline
OpenEye OEToolkits	3.1.0.0	4-[6-chloranyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)methoxy]quinazolin-4-yl]morpholine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cn1cc(nc1COc1nc(N2CCOCC2)c2cc(Cl)ccc2n1)c1ccccc1
InChI	InChI	1.06	InChI=1S/C23H22ClN5O2/c1-28-14-20(16-5-3-2-4-6-16)25-21(28)15-31-23-26-19-8-7-17(24)13-18(19)22(27-23)29-9-11-30-12-10-29/h2-8,13-14H,9-12,15H2,1H3
InChIKey	InChI	1.06	KKBDXIIVHVQEDV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(nc1COc2nc3ccc(Cl)cc3c(n2)N4CCOCC4)c5ccccc5
SMILES	CACTVS	3.385	Cn1cc(nc1COc2nc3ccc(Cl)cc3c(n2)N4CCOCC4)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1cc(nc1COc2nc3ccc(cc3c(n2)N4CCOCC4)Cl)c5ccccc5
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1cc(nc1COc2nc3ccc(cc3c(n2)N4CCOCC4)Cl)c5ccccc5

247536

PDB entries from 2026-01-14

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