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

Formula:C31H23N4OF Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-(4-fluorophenyl)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-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C31H23N4OF
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C31H23FN4O/c32-26-13-15-27(16-14-26)34-31(37)25(21-33)19-22-11-17-28(18-12-22)36-30(24-9-5-2-6-10-24)20-29(35-36)23-7-3-1-4-8-23/h1-19,30H,20H2,(H,34,37)/t30-/m0/s1
InChIK	UFZGDMYOMADBJD-PMERELPUSA-N
TotalMolweight	486.549
Molweight	486.549
MonoisotopicMass	486.185589
CLogP	6.5515
CLogS	-7.017
H Acceptors	5
H Donors	1
TotalSurfaceArea	380.55
Relative PSA	0.13959
PolarSurfaceArea	68.49
Druglikeness	-0.82089
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
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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1 - (E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-(4-fluorophenyl)prop-2-enamide | 2 - (E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-(4-fluorophenyl)prop-2-enamide

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