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

Formula:C30H22N4O2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(furan-2-ylmethyl)prop-2-enamide
MolecularFormula	C30H22N4O2
Smiles	N#C/C(/C(NCc1ccco1)=O)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C30H22N4O2/c31-20-25(30(35)32-21-27-12-7-17-36-27)18-22-13-15-26(16-14-22)34-29(24-10-5-2-6-11-24)19-28(33-34)23-8-3-1-4-9-23/h1-19H,21H2,(H,32,35)
InChIK	QJLOOLPKLMYFLF-UHFFFAOYSA-N
TotalMolweight	470.531
Molweight	470.531
MonoisotopicMass	470.174276
CLogP	4.5556
CLogS	-6.559
H Acceptors	6
H Donors	1
TotalSurfaceArea	379.34
Relative PSA	0.18456
PolarSurfaceArea	83.85
Druglikeness	0.51528
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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