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(6Z)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C24H23N4O2ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
MolName(6Z)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2-(2-cyclohexylethyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC24H23N4O2ClS2
SmilesN=C(/C1=C/c(o2)ccc2Sc(cc2)ccc2Cl)N2N=C(CCC3CCCCC3)SC2=NC1=O
InChIInChI=1S/C24H23ClN4O2S2/c25-16-7-10-18(11-8-16)32-21-13-9-17(31-21)14-19-22(26)29-24(27-23(19)30)33-20(28-29)12-6-15-4-2-1-3-5-15/h7-11,13-15,26H,1-6,12H2
InChIKCMNANXNXXJTJRN-UHFFFAOYSA-N
TotalMolweight499.058
Molweight499.058
MonoisotopicMass498.095093
CLogP4.5263
CLogS-5.669
H Acceptors6
H Donors1
TotalSurfaceArea360.44
Relative PSA0.28937
PolarSurfaceArea132.62
Druglikeness1.1536
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.63636
Fragments1
Non HAtoms33
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms10
Symmetricatoms4
BasicNitrogens1
StereoCon

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