6X1

2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid

Created:	2009-12-03
Last modified:	2011-06-04

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1 entries where 6X1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of 6X1

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Chemical Component Summary
Name	2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid
Formula	C₁₄ H₁₀ Cl₂ N₂ O₃
Molecular Weight	325.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	OC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl
Canonical SMILES	CACTVS	3.352	OC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl
InChI	InChI	1.03	InChI=1S/C14H10Cl2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKey	InChI	1.03	PIWYMPXOKMFVER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1088742
PubChem	44631845
ChEMBL	CHEMBL1088742

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