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

Formula:C22H20N4O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (6Z)-2-cyclohexyl-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-cyclohexyl-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C22H20N4O2S
Smiles	N=C(/C1=C/c2ccc(-c3ccccc3)o2)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C22H20N4O2S/c23-19-17(13-16-11-12-18(28-16)14-7-3-1-4-8-14)20(27)24-22-26(19)25-21(29-22)15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15,23H,2,5-6,9-10H2
InChIK	KLEPPNCKIRCKCV-UHFFFAOYSA-N
TotalMolweight	404.493
Molweight	404.493
MonoisotopicMass	404.130696
CLogP	2.8432
CLogS	-4.622
H Acceptors	6
H Donors	1
TotalSurfaceArea	300.01
Relative PSA	0.28936
PolarSurfaceArea	107.32
Druglikeness	0.91696
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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