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2-[[(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C24H17N3O3ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
MolName2-[[(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormulaC24H17N3O3ClF3S
SmilesNC(c1c(NC(/C(/C#N)=C/c2ccc(-c(cc(C(F)(F)F)cc3)c3Cl)o2)=O)sc2c1CCCC2)=O
InChIInChI=1S/C24H17ClF3N3O3S/c25-17-7-5-13(24(26,27)28)10-16(17)18-8-6-14(34-18)9-12(11-29)22(33)31-23-20(21(30)32)15-3-1-2-4-19(15)35-23/h5-10H,1-4H2,(H2,30,32)(H,31,33)
InChIKIAIOIDPFHIBZIH-UHFFFAOYSA-N
TotalMolweight519.93
Molweight519.93
MonoisotopicMass519.063123
CLogP5.6818
CLogS-8.085
H Acceptors6
H Donors2
TotalSurfaceArea366.73
Relative PSA0.27497
PolarSurfaceArea137.36
Druglikeness-10.696
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionstwice activated DB
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms5
Symmetricatoms2
Amides2
StereoCon

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