(E)-N-benzyl-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enamide

Formula:C32H24N4O Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-N-benzyl-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-benzyl-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enamide
MolecularFormula	C32H24N4O
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C32H24N4O/c33-22-28(32(37)34-23-25-10-4-1-5-11-25)20-24-16-18-29(19-17-24)36-31(27-14-8-3-9-15-27)21-30(35-36)26-12-6-2-7-13-26/h1-21H,23H2,(H,34,37)
InChIK	AEJASFPIPCTHJM-UHFFFAOYSA-N
TotalMolweight	480.57
Molweight	480.57
MonoisotopicMass	480.195011
CLogP	5.3669
CLogS	-6.877
H Acceptors	5
H Donors	1
TotalSurfaceArea	389.65
Relative PSA	0.14346
PolarSurfaceArea	70.71
Druglikeness	0.79789
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

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