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

Formula:C33H28N4O Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-(2-phenylethyl)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-(2-phenylethyl)prop-2-enamide
MolecularFormula	C33H28N4O
Smiles	N#C/C(/C(NCCc1ccccc1)=O)=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C33H28N4O/c34-24-29(33(38)35-21-20-25-10-4-1-5-11-25)22-26-16-18-30(19-17-26)37-32(28-14-8-3-9-15-28)23-31(36-37)27-12-6-2-7-13-27/h1-19,22,32H,20-21,23H2,(H,35,38)/t32-/m0/s1
InChIK	PZCGIOMBQNTLOO-YTTGMZPUSA-N
TotalMolweight	496.612
Molweight	496.612
MonoisotopicMass	496.226311
CLogP	6.5902
CLogS	-6.631
H Acceptors	5
H Donors	1
TotalSurfaceArea	401.72
Relative PSA	0.13223
PolarSurfaceArea	68.49
Druglikeness	1.033
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	8
Amides	1
StereoCon	racemate

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