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Summary Geometry Related PDB entries

Q4O

Summary

Name:	~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
Formula:	C23 H17 Cl F4 N2 O4
Formal charge:	0
Formula weight:	496.839 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	3.1.0.0	~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H17ClF4N2O4/c1-33-19-5-3-2-4-12(19)11-29-21(31)15-9-14(16(24)10-17(15)25)22(32)30-13-6-7-20(18(26)8-13)34-23(27)28/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32)
InChIKey	InChI	1.06	OUEDXGFIUVZQDC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c(Cl)cc2F
SMILES	CACTVS	3.385	COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(OC(F)F)c(F)c3)c(Cl)cc2F
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	COc1ccccc1CNC(=O)c2cc(c(cc2F)Cl)C(=O)Nc3ccc(c(c3)F)OC(F)F
SMILES	OpenEye OEToolkits	3.1.0.0	COc1ccccc1CNC(=O)c2cc(c(cc2F)Cl)C(=O)Nc3ccc(c(c3)F)OC(F)F

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