(E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C33H24N4S Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C33H24N4S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C33H24N4S/c34-22-28(33-35-31(23-38-33)26-12-6-2-7-13-26)20-24-16-18-29(19-17-24)37-32(27-14-8-3-9-15-27)21-30(36-37)25-10-4-1-5-11-25/h1-20,23,32H,21H2/t32-/m0/s1
InChIK	PRUQUMSQLZLCHK-YTTGMZPUSA-N
TotalMolweight	508.648
Molweight	508.648
MonoisotopicMass	508.172166
CLogP	7.3753
CLogS	-7.37
H Acceptors	4
TotalSurfaceArea	399.45
Relative PSA	0.15008
PolarSurfaceArea	80.52
Druglikeness	0.54119
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	1
StereoCon	racemate

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1 - (E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

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