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2-[(E)-4-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]but-2-enyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Formula:C22H20N4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-4-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]but-2-enyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is a drug-like molecule.
MolName2-[(E)-4-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]but-2-enyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
MolecularFormulaC22H20N4S2
SmilesN#Cc1cc(CCC2)c2nc1SC/C=C/CSc1nc(CCC2)c2cc1C#N
InChIInChI=1S/C22H20N4S2/c23-13-17-11-15-5-3-7-19(15)25-21(17)27-9-1-2-10-28-22-18(14-24)12-16-6-4-8-20(16)26-22/h1-2,11-12H,3-10H2
InChIKOUWIPIGLFUPIOS-UHFFFAOYSA-N
TotalMolweight404.561
Molweight404.561
MonoisotopicMass404.112936
CLogP4.5488
CLogS-5.894
H Acceptors4
TotalSurfaceArea318.52
Relative PSA0.26385
PolarSurfaceArea123.96
Druglikeness-7.916
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms28
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms14
Aromatic Nitrogens2
StereoCon

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