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

Formula:C27H21N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[3-cyano-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(3-ethynylphenyl)acetamide is not a drug-like molecule.

MolName	2-[[3-cyano-4-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(3-ethynylphenyl)acetamide
MolecularFormula	C27H21N3OS
Smiles	C#Cc1cccc(NC(CSc2nc(CCC3)c3c(/C=C\c3ccccc3)c2C#N)=O)c1
InChI	InChI=1S/C27H21N3OS/c1-2-19-10-6-11-21(16-19)29-26(31)18-32-27-24(17-28)22(23-12-7-13-25(23)30-27)15-14-20-8-4-3-5-9-20/h1,3-6,8-11,14-16H,7,12-13,18H2,(H,29,31)
InChIK	UKNUZPZNGZQFMW-UHFFFAOYSA-N
TotalMolweight	435.55
Molweight	435.55
MonoisotopicMass	435.140532
CLogP	5.129
CLogS	-5.826
H Acceptors	4
H Donors	1
TotalSurfaceArea	351.8
Relative PSA	0.18908
PolarSurfaceArea	91.08
Druglikeness	-5.6807
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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

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