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

Formula:C22H26N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclohexyl-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-cyclohexyl-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC22H26N4O4S2
SmilesOCCOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1C3CCCCC3)=O)\SC1=S)C2=O
InChIInChI=1S/C22H26N4O4S2/c27-11-13-30-12-9-23-19-16(20(28)25-10-5-4-8-18(25)24-19)14-17-21(29)26(22(31)32-17)15-6-2-1-3-7-15/h4-5,8,10,14-15,23,27H,1-3,6-7,9,11-13H2
InChIKHXKUCCGZNCBCRD-UHFFFAOYSA-N
TotalMolweight474.604
Molweight474.604
MonoisotopicMass474.139546
CLogP0.2076
CLogS-4.74
H Acceptors8
H Donors2
TotalSurfaceArea353.55
Relative PSA0.35282
PolarSurfaceArea151.86
Druglikeness-3.2165
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionspolar activated DB
Shape Index0.53125
Fragments1
Non HAtoms32
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures4
Small Rings4
Sp3Atoms14
Symmetricatoms2
Amides2
BasicNitrogens1
StereoCon

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