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Summary Geometry Related PDB entries

10Z

Summary

Name:	N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine
Formula:	C23 H23 N5 O
Formal charge:	0
Formula weight:	385.462 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine
OpenEye OEToolkits	1.7.6	N-[4-[(2-methoxyethylamino)methyl]phenyl]-6-pyridin-4-yl-quinazolin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3c1c(cc(cc1)c2ccncc2)cnc3Nc4ccc(cc4)CNCCOC
InChI	InChI	1.03	InChI=1S/C23H23N5O/c1-29-13-12-25-15-17-2-5-21(6-3-17)27-23-26-16-20-14-19(4-7-22(20)28-23)18-8-10-24-11-9-18/h2-11,14,16,25H,12-13,15H2,1H3,(H,26,27,28)
InChIKey	InChI	1.03	UKKAXPVDQSQDFB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COCCNCc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1
SMILES	CACTVS	3.370	COCCNCc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4
SMILES	OpenEye OEToolkits	1.7.6	COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4

219869

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