(E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-phenylprop-2-enamide

Formula:C31H24N4O Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-phenylprop-2-enamide
MolecularFormula	C31H24N4O
Smiles	N#C/C(/C(Nc1ccccc1)=O)=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C31H24N4O/c32-22-26(31(36)33-27-14-8-3-9-15-27)20-23-16-18-28(19-17-23)35-30(25-12-6-2-7-13-25)21-29(34-35)24-10-4-1-5-11-24/h1-20,30H,21H2,(H,33,36)/t30-/m0/s1
InChIK	ZLEXXQNVLOUFBF-PMERELPUSA-N
TotalMolweight	468.559
Molweight	468.559
MonoisotopicMass	468.195011
CLogP	6.4507
CLogS	-6.703
H Acceptors	5
H Donors	1
TotalSurfaceArea	374.2
Relative PSA	0.14196
PolarSurfaceArea	68.49
Druglikeness	0.51911
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	8
Amides	1
StereoCon	racemate

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