(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

Formula:C31H27N4O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
MolecularFormula	C31H27N4O2FS
Smiles	O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cc1)ccc1F
InChI	InChI=1S/C31H27FN4O2S/c32-25-13-9-22(10-14-25)21-38-27-15-11-23(12-16-27)29-24(20-36(34-29)26-7-3-1-4-8-26)19-28-30(37)33-31(39-28)35-17-5-2-6-18-35/h1,3-4,7-16,19-20H,2,5-6,17-18,21H2
InChIK	OLIVMINXLZHFDW-UHFFFAOYSA-N
TotalMolweight	538.645
Molweight	538.645
MonoisotopicMass	538.183874
CLogP	5.1169
CLogS	-6.967
H Acceptors	6
TotalSurfaceArea	405.63
Relative PSA	0.18103
PolarSurfaceArea	85.02
Druglikeness	2.703
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	8
Symmetricatoms	8
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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