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

Formula:C25H24N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclopentyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-cyclopentyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C25H24N4O3S2
Smiles	OC(CNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1C3CCCC3)=O)\SC1=S)C2=O)c1ccccc1
InChI	InChI=1S/C25H24N4O3S2/c30-19(16-8-2-1-3-9-16)15-26-22-18(23(31)28-13-7-6-12-21(28)27-22)14-20-24(32)29(25(33)34-20)17-10-4-5-11-17/h1-3,6-9,12-14,17,19,26,30H,4-5,10-11,15H2/t19-/m0/s1
InChIK	RQMOQQNXOQFKBS-IBGZPJMESA-N
TotalMolweight	492.623
Molweight	492.623
MonoisotopicMass	492.128981
CLogP	1.2566
CLogS	-5.643
H Acceptors	7
H Donors	2
TotalSurfaceArea	360.77
Relative PSA	0.31804
PolarSurfaceArea	142.63
Druglikeness	3.5527
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon	racemate

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

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