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6-[(5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C22H24N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.
MolName6-[(5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormulaC22H24N4O5S2
SmilesOC(CCCCCN(C(/C(/S1)=C/C2=C(N3CCOCC3)N=C(C=CC=C3)N3C2=O)=O)C1=S)=O
InChIInChI=1S/C22H24N4O5S2/c27-18(28)7-2-1-4-9-26-21(30)16(33-22(26)32)14-15-19(24-10-12-31-13-11-24)23-17-6-3-5-8-25(17)20(15)29/h3,5-6,8,14H,1-2,4,7,9-13H2,(H,27,28)
InChIKIQCIMQHGXYLYBP-UHFFFAOYSA-N
TotalMolweight488.588
Molweight488.588
MonoisotopicMass488.118811
CLogP0.3889
CLogS-4.012
H Acceptors9
H Donors1
TotalSurfaceArea357.64
Relative PSA0.36313
PolarSurfaceArea160.14
Druglikeness-4.6033
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.51515
Fragments1
Non HAtoms33
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures4
Small Rings4
Sp3Atoms13
Symmetricatoms2
Amides2
BasicNitrogens1
AcidicOxygens1
StereoCon

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