(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

Formula:C22H22N4O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
MolecularFormula	C22H22N4O2S
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1ccc(N2CCCCC2)o1
InChI	InChI=1S/C22H22N4O2S/c23-13-15(12-16-8-9-20(28-16)26-10-4-1-5-11-26)21(27)25-22-18(14-24)17-6-2-3-7-19(17)29-22/h8-9,12H,1-7,10-11H2,(H,25,27)
InChIK	WLEOGTVAELHJPK-UHFFFAOYSA-N
TotalMolweight	406.509
Molweight	406.509
MonoisotopicMass	406.146346
CLogP	4.41
CLogS	-6.994
H Acceptors	6
H Donors	1
TotalSurfaceArea	323.13
Relative PSA	0.27741
PolarSurfaceArea	121.3
Druglikeness	-1.5942
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	9
Symmetricatoms	2
Amides	1
StereoCon

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1 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide | 2 - (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

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