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

Formula:C32H23N4OF3 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C32H23N4OF3
Smiles	N#C/C(/C(Nc1cccc(C(F)(F)F)c1)=O)=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C32H23F3N4O/c33-32(34,35)26-12-7-13-27(19-26)37-31(40)25(21-36)18-22-14-16-28(17-15-22)39-30(24-10-5-2-6-11-24)20-29(38-39)23-8-3-1-4-9-23/h1-19,30H,20H2,(H,37,40)/t30-/m0/s1
InChIK	NGTADVUCBQTBCH-PMERELPUSA-N
TotalMolweight	536.556
Molweight	536.556
MonoisotopicMass	536.182395
CLogP	7.299
CLogS	-7.481
H Acceptors	5
H Donors	1
TotalSurfaceArea	403.66
Relative PSA	0.1316
PolarSurfaceArea	68.49
Druglikeness	-6.6709
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	8
Amides	1
StereoCon	racemate

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1 - (E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

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