(E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile

Formula:C32H21N5O Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile
MolecularFormula	C32H21N5O
Smiles	N#C/C(/C(Nc1c2cccc1)=NC2=O)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C32H21N5O/c33-21-25(31-34-28-14-8-7-13-27(28)32(38)35-31)19-22-15-17-26(18-16-22)37-30(24-11-5-2-6-12-24)20-29(36-37)23-9-3-1-4-10-23/h1-20H,(H,34,35,38)
InChIK	PBMYSCJHQQTXQT-UHFFFAOYSA-N
TotalMolweight	491.553
Molweight	491.553
MonoisotopicMass	491.17461
CLogP	4.9677
CLogS	-7.483
H Acceptors	6
H Donors	1
TotalSurfaceArea	385.36
Relative PSA	0.17493
PolarSurfaceArea	83.07
Druglikeness	-0.88939
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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