(5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C23H20N6O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H20N6O3S2
Smiles	O=C(/C(/S1)=C/C2=C(NCCCn3cncc3)N=C(C=CC=C3)N3C2=O)N(Cc2ccco2)C1=S
InChI	InChI=1S/C23H20N6O3S2/c30-21-17(13-18-22(31)29(23(33)34-18)14-16-5-3-12-32-16)20(26-19-6-1-2-10-28(19)21)25-7-4-9-27-11-8-24-15-27/h1-3,5-6,8,10-13,15,25H,4,7,9,14H2
InChIK	RZPBQUOEBDUIJS-UHFFFAOYSA-N
TotalMolweight	492.583
Molweight	492.583
MonoisotopicMass	492.103829
CLogP	-0.0363
CLogS	-4.142
H Acceptors	9
H Donors	1
TotalSurfaceArea	366.57
Relative PSA	0.36443
PolarSurfaceArea	153.36
Druglikeness	6.7651
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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1 - (5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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