(5E)-3-cyclohexyl-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C24H29N5O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-cyclohexyl-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-cyclohexyl-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C24H29N5O2S2
Smiles	CC(C1=NC(N2CCN(C)CC2)=C2/C=C(\C(N3C4CCCCC4)=O)/SC3=S)=CC=CN1C2=O
InChI	InChI=1S/C24H29N5O2S2/c1-16-7-6-10-28-20(16)25-21(27-13-11-26(2)12-14-27)18(22(28)30)15-19-23(31)29(24(32)33-19)17-8-4-3-5-9-17/h6-7,10,15,17H,3-5,8-9,11-14H2,1-2H3/b19-15+
InChIK	HOVQWWWEIFPSIZ-XDJHFCHBSA-N
TotalMolweight	483.659
Molweight	483.659
MonoisotopicMass	483.176265
CLogP	1.6056
CLogS	-4.357
H Acceptors	7
TotalSurfaceArea	355.57
Relative PSA	0.27359
PolarSurfaceArea	116.85
Druglikeness	3.8138
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Sp3Atoms	15
Symmetricatoms	4
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	2
StereoCon

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1 - (5E)-3-cyclohexyl-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-cyclohexyl-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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