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

Formula:C21H24N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclopentyl-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-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-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC21H24N4O4S2
SmilesOCCOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1C3CCCC3)=O)\SC1=S)C2=O
InChIInChI=1S/C21H24N4O4S2/c26-10-12-29-11-8-22-18-15(19(27)24-9-4-3-7-17(24)23-18)13-16-20(28)25(21(30)31-16)14-5-1-2-6-14/h3-4,7,9,13-14,22,26H,1-2,5-6,8,10-12H2
InChIKGALYJPPNPKCQON-UHFFFAOYSA-N
TotalMolweight460.578
Molweight460.578
MonoisotopicMass460.123896
CLogP-0.1344
CLogS-4.47
H Acceptors8
H Donors2
TotalSurfaceArea339.79
Relative PSA0.36711
PolarSurfaceArea151.86
Druglikeness-0.62734
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionspolar activated DB
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures4
Small Rings4
Sp3Atoms13
Symmetricatoms2
Amides2
BasicNitrogens1
StereoCon

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