(E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one

Formula:C34H25N2O2Cl Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one
MolecularFormula	C34H25N2O2Cl
Smiles	O=C(/C=C/c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1)c1ccc(-c(cccc2)c2Cl)o1
InChI	InChI=1S/C34H25ClN2O2/c35-29-14-8-7-13-28(29)33-21-22-34(39-33)32(38)20-17-24-15-18-27(19-16-24)37-31(26-11-5-2-6-12-26)23-30(36-37)25-9-3-1-4-10-25/h1-22,31H,23H2/t31-/m0/s1
InChIK	DYCLQBFXBRDQRN-HKBQPEDESA-N
TotalMolweight	529.038
Molweight	529.038
MonoisotopicMass	528.160455
CLogP	8.3111
CLogS	-8.969
H Acceptors	4
TotalSurfaceArea	407.69
Relative PSA	0.10353
PolarSurfaceArea	45.81
Druglikeness	4.9479
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	6
StereoCon	racemate

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1 - (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one | 2 - (E)-1-[5-(2-chlorophenyl)furan-2-yl]-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-en-1-one

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