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

Formula:C38H33N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C38H33N4O2ClS
Smiles	O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc(cc1)ccc1Cl
InChI	InChI=1S/C38H33ClN4O2S/c39-32-15-11-29(12-16-32)26-45-34-17-13-30(14-18-34)36-31(25-43(41-36)33-9-5-2-6-10-33)24-35-37(44)40-38(46-35)42-21-19-28(20-22-42)23-27-7-3-1-4-8-27/h1-18,24-25,28H,19-23,26H2
InChIK	PAICREBZVVCJOV-UHFFFAOYSA-N
TotalMolweight	645.225
Molweight	645.225
MonoisotopicMass	644.201273
CLogP	7.3333
CLogS	-8.684
H Acceptors	6
TotalSurfaceArea	486.96
Relative PSA	0.15079
PolarSurfaceArea	85.02
Druglikeness	7.3301
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	46
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	9
Symmetricatoms	10
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - (5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-(4-benzylpiperidin-1-yl)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one

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