2-[[3-cyano-4-[(E)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Formula:C26H20N3OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[3-cyano-4-[(E)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.

MolName	2-[[3-cyano-4-[(E)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
MolecularFormula	C26H20N3OF3S
Smiles	N#Cc1c(/C=C/c2ccccc2)c(CCC2)c2nc1SCC(Nc1cc(C(F)(F)F)ccc1)=O
InChI	InChI=1S/C26H20F3N3OS/c27-26(28,29)18-8-4-9-19(14-18)31-24(33)16-34-25-22(15-30)20(21-10-5-11-23(21)32-25)13-12-17-6-2-1-3-7-17/h1-4,6-9,12-14H,5,10-11,16H2,(H,31,33)
InChIK	JPVBLZQDAOSKKC-UHFFFAOYSA-N
TotalMolweight	479.525
Molweight	479.525
MonoisotopicMass	479.127916
CLogP	5.8761
CLogS	-7.171
H Acceptors	4
H Donors	1
TotalSurfaceArea	357.45
Relative PSA	0.1861
PolarSurfaceArea	91.08
Druglikeness	-12.932
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 2-[[3-cyano-4-[(E)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide | 2 - 2-[[3-cyano-4-[(E)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

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