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

Formula:C24H24N4O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-2-(2-cyclohexylethyl)-5-imino-6-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-(2-cyclohexylethyl)-5-imino-6-[(5-phenylsulfanylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C24H24N4O2S2
Smiles	N=C(/C1=C/c(o2)ccc2Sc2ccccc2)N2N=C(CCC3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C24H24N4O2S2/c25-22-19(15-17-12-14-21(30-17)31-18-9-5-2-6-10-18)23(29)26-24-28(22)27-20(32-24)13-11-16-7-3-1-4-8-16/h2,5-6,9-10,12,14-16,25H,1,3-4,7-8,11,13H2
InChIK	KXCAOPPIBCNCOL-UHFFFAOYSA-N
TotalMolweight	464.613
Molweight	464.613
MonoisotopicMass	464.134066
CLogP	3.9203
CLogS	-4.933
H Acceptors	6
H Donors	1
TotalSurfaceArea	345.02
Relative PSA	0.3023
PolarSurfaceArea	132.62
Druglikeness	1.107
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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

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