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

Formula:C25H21N6O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC25H21N6O2ClS2
SmilesO=C(/C(/S1)=C/C2=C(NCCCn3cncc3)N=C(C=CC=C3)N3C2=O)N(Cc(cccc2)c2Cl)C1=S
InChIInChI=1S/C25H21ClN6O2S2/c26-19-7-2-1-6-17(19)15-32-24(34)20(36-25(32)35)14-18-22(28-9-5-11-30-13-10-27-16-30)29-21-8-3-4-12-31(21)23(18)33/h1-4,6-8,10,12-14,16,28H,5,9,11,15H2
InChIKDBBNZVZQHYGUEP-UHFFFAOYSA-N
TotalMolweight537.067
Molweight537.067
MonoisotopicMass536.085591
CLogP1.381
CLogS-5.196
H Acceptors8
H Donors1
TotalSurfaceArea392.3
Relative PSA0.30456
PolarSurfaceArea140.22
Druglikeness7.0212
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.5
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms6
Amides2
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

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