(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide

Formula:C32H28N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide
MolecularFormula	C32H28N6O2
Smiles	N#C/C(/C(NCCCn1cncc1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C32H28N6O2/c33-21-27(32(39)35-16-7-18-37-19-17-34-24-37)20-28-22-38(29-10-5-2-6-11-29)36-31(28)26-12-14-30(15-13-26)40-23-25-8-3-1-4-9-25/h1-6,8-15,17,19-20,22,24H,7,16,18,23H2,(H,35,39)
InChIK	WVSVVKNYMQSRSW-UHFFFAOYSA-N
TotalMolweight	528.614
Molweight	528.614
MonoisotopicMass	528.227374
CLogP	3.6388
CLogS	-4.802
H Acceptors	8
H Donors	1
TotalSurfaceArea	428.89
Relative PSA	0.19525
PolarSurfaceArea	97.76
Druglikeness	2.8292
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	11
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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