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

Formula:C27H22N4O Mutagenic:high Tumorigenic:low Reproductive Effective:low (E)-2-cyano-3-[4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[4-[3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]prop-2-enamide
MolecularFormula	C27H22N4O
Smiles	NC(/C(/C#N)=C/c(cc1)ccc1N(C(C1)c2ccccc2)N=C1/C=C/c1ccccc1)=O
InChI	InChI=1S/C27H22N4O/c28-19-23(27(29)32)17-21-12-15-25(16-13-21)31-26(22-9-5-2-6-10-22)18-24(30-31)14-11-20-7-3-1-4-8-20/h1-17,26H,18H2,(H2,29,32)/t26-/m0/s1
InChIK	QKIOVFZTKVTAON-SANMLTNESA-N
TotalMolweight	418.499
Molweight	418.499
MonoisotopicMass	418.179361
CLogP	4.9405
CLogS	-5.426
H Acceptors	5
H Donors	1
TotalSurfaceArea	338
Relative PSA	0.16843
PolarSurfaceArea	82.48
Druglikeness	-0.18974
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	1
StereoCon	racemate

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