900

N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide

Created:	2007-11-02
Last modified:	2011-06-04

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	28

2D diagram of 900

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Chemical Component Summary
Name	N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
Systematic Name (OpenEye OEToolkits)	N-(4-chlorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxy-naphthalene-1-carboxamide
Formula	C₂₈ H₂₁ Cl N₂ O₄
Molecular Weight	484.93
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)NC(=O)c5cccc4cc(Oc2c3cc(OC)c(OC)cc3ncc2)ccc45
SMILES	CACTVS	3.341	COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc5ccc(Cl)cc5)c3)c2cc1OC
SMILES	OpenEye OEToolkits	1.5.0	COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl
Canonical SMILES	CACTVS	3.341	COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc5ccc(Cl)cc5)c3)c2cc1OC
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl
InChI	InChI	1.03	InChI=1S/C28H21ClN2O4/c1-33-26-15-23-24(16-27(26)34-2)30-13-12-25(23)35-20-10-11-21-17(14-20)4-3-5-22(21)28(32)31-19-8-6-18(29)7-9-19/h3-16H,1-2H3,(H,31,32)
InChIKey	InChI	1.03	WUBFAXNVDMCVIO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL429743
PubChem	24757938
ChEMBL	CHEMBL429743

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.