5M7

6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid

Created:	2015-10-22
Last modified:	2016-03-09

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2 entries where 5M7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	17

2D diagram of 5M7

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Chemical Component Summary
Name	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Formula	C₂₁ H₁₉ Cl N₂ O₂
Molecular Weight	366.841
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl
InChI	InChI	1.03	InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)
InChIKey	InChI	1.03	URBVMCHIBNRDKB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3941588
PubChem	71556223
ChEMBL	CHEMBL3941588

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