N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-pyridin-2-ylquinoline-4-carboxamide

Formula:C27H21N5OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-pyridin-2-ylquinoline-4-carboxamide is not a drug-like molecule.

MolName	N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-pyridin-2-ylquinoline-4-carboxamide
MolecularFormula	C27H21N5OCl2
Smiles	Cc(n(Cc(cc1)cc(Cl)c1Cl)nc1C)c1NC(c1cc(-c2ncccc2)nc2ccccc12)=O
InChI	InChI=1S/C27H21Cl2N5O/c1-16-26(17(2)34(33-16)15-18-10-11-21(28)22(29)13-18)32-27(35)20-14-25(24-9-5-6-12-30-24)31-23-8-4-3-7-19(20)23/h3-14H,15H2,1-2H3,(H,32,35)
InChIK	XIERCJQAWCCUEV-UHFFFAOYSA-N
TotalMolweight	502.404
Molweight	502.404
MonoisotopicMass	501.112314
CLogP	5.391
CLogS	-6.274
H Acceptors	6
H Donors	1
TotalSurfaceArea	370.95
Relative PSA	0.17328
PolarSurfaceArea	72.7
Druglikeness	5.1573
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	4
StereoCon

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