(5Z)-3-cyclohexyl-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C28H28N5O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclohexyl-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-3-cyclohexyl-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C28H28N5O2FS2
Smiles	O=C(/C(/S1)=C/C2=C(N(CC3)CCN3c(cc3)ccc3F)N=C(C=CC=C3)N3C2=O)N(C2CCCCC2)C1=S
InChI	InChI=1S/C28H28FN5O2S2/c29-19-9-11-20(12-10-19)31-14-16-32(17-15-31)25-22(26(35)33-13-5-4-8-24(33)30-25)18-23-27(36)34(28(37)38-23)21-6-2-1-3-7-21/h4-5,8-13,18,21H,1-3,6-7,14-17H2
InChIK	JSMOGMWXTBHTBQ-UHFFFAOYSA-N
TotalMolweight	549.693
Molweight	549.693
MonoisotopicMass	549.166843
CLogP	2.7614
CLogS	-6.392
H Acceptors	7
TotalSurfaceArea	398.95
Relative PSA	0.24384
PolarSurfaceArea	116.85
Druglikeness	0.65941
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	6
Amides	2
Amines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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1 - (5Z)-3-cyclohexyl-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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