6-bromo-3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

Formula:C33H22N3O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-bromo-3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is not a drug-like molecule.

MolName	6-bromo-3-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
MolecularFormula	C33H22N3O2Br
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O
InChI	InChI=1S/C33H22BrN3O2/c34-25-17-18-28-27(20-25)30(22-10-4-1-5-11-22)31(33(39)35-28)29(38)19-16-24-21-37(26-14-8-3-9-15-26)36-32(24)23-12-6-2-7-13-23/h1-21H,(H,35,39)
InChIK	SJXXSRVWPNVZEL-UHFFFAOYSA-N
TotalMolweight	572.461
Molweight	572.461
MonoisotopicMass	571.089538
CLogP	5.704
CLogS	-7.55
H Acceptors	5
H Donors	1
TotalSurfaceArea	401.77
Relative PSA	0.13784
PolarSurfaceArea	63.99
Druglikeness	3.724
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.41026
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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