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

Formula:C23H26N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(cyclohexylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[2-(cyclohexylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H26N4O2S2
Smiles	O=C(/C(/S1)=C/C2=C(NC3CCCCC3)N=C(C=CC=C3)N3C2=O)N(C2CCCC2)C1=S
InChI	InChI=1S/C23H26N4O2S2/c28-21-17(14-18-22(29)27(23(30)31-18)16-10-4-5-11-16)20(24-15-8-2-1-3-9-15)25-19-12-6-7-13-26(19)21/h6-7,12-16,24H,1-5,8-11H2
InChIK	PIPMZEFVAVJBOP-UHFFFAOYSA-N
TotalMolweight	454.617
Molweight	454.617
MonoisotopicMass	454.149716
CLogP	2.0342
CLogS	-6.33
H Acceptors	6
H Donors	1
TotalSurfaceArea	336.2
Relative PSA	0.30232
PolarSurfaceArea	122.4
Druglikeness	-0.51365
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Sp3Atoms	13
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon

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

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