5LP

2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid

Created:	2015-10-20
Last modified:	2016-10-26

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1 entries where 5LP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of 5LP

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Chemical Component Summary
Name	2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
Systematic Name (OpenEye OEToolkits)	2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
Formula	C₁₅ H₁₄ Cl N₃ O₃
Molecular Weight	319.743
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(C(O)=O)c(NC(=O)Nc2ccc(Cl)cc2N)c1
SMILES	OpenEye OEToolkits	2.0.4	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1ccc(C(O)=O)c(NC(=O)Nc2ccc(Cl)cc2N)c1
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H14ClN3O3/c1-8-2-4-10(14(20)21)13(6-8)19-15(22)18-12-5-3-9(16)7-11(12)17/h2-7H,17H2,1H3,(H,20,21)(H2,18,19,22)
InChIKey	InChI	1.03	OVROHYZIQZOIGO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122197559

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