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Summary Geometry Related PDB entries

Obsolete: RNY

RNY was replaced with AQZ on

Summary

Name:	N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLPYRIDINE-4-CARBOXAMIDE
Formula:	C32 H37 N7 O4
Formal charge:	0
Formula weight:	583.681 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[3-({7-methoxy-6-[2-(pyrrolidin-1-yl)ethoxy]quinazolin-4-yl}amino)-4-methylphenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
OpenEye OEToolkits	1.9.2	N-[3-[[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino]-4-methyl-phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc4ccc(c(Nc3ncnc2c3cc(OCCN1CCCC1)c(OC)c2)c4)C)c5cc(ncc5)N6CCOCC6
InChI	InChI	1.03	InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)
InChIKey	InChI	1.03	LGTPGGBSDIEHKM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)c2cc1OCCN6CCCC6
SMILES	CACTVS	3.385	COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)c2cc1OCCN6CCCC6
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6

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