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Summary Geometry Related PDB entries

9BD

Summary

Name:	2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
Formula:	C19 H19 N5 O3
Formal charge:	0
Formula weight:	365.386 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
OpenEye OEToolkits	1.5.0	2-imidazol-1-yl-9-methoxy-8-(2-methoxyethoxy)pyrido[3,4-c]quinolin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c3c(cc1n2ccnc2)c4cc(OC)c(OCCOC)cc4nc3)N
SMILES_CANONICAL	CACTVS	3.341	COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)n4ccnc4
SMILES	CACTVS	3.341	COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)n4ccnc4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4
SMILES	OpenEye OEToolkits	1.5.0	COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4
InChI	InChI	1.03	InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23)
InChIKey	InChI	1.03	QSSGYSRUMIOURP-UHFFFAOYSA-N

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