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[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C30H25N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
MolName[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormulaC30H25N3O4S
SmilesN#Cc1c(NC(COC(c2c(CC/C3=C\c4ccco4)c3nc3ccccc23)=O)=O)sc2c1CCCCC2
InChIInChI=1S/C30H25N3O4S/c31-16-23-20-8-2-1-3-11-25(20)38-29(23)33-26(34)17-37-30(35)27-21-9-4-5-10-24(21)32-28-18(12-13-22(27)28)15-19-7-6-14-36-19/h4-7,9-10,14-15H,1-3,8,11-13,17H2,(H,33,34)
InChIKRITFLVXTHNBMCD-UHFFFAOYSA-N
TotalMolweight523.611
Molweight523.611
MonoisotopicMass523.156577
CLogP5.6259
CLogS-7.922
H Acceptors7
H Donors1
TotalSurfaceArea398.23
Relative PSA0.26753
PolarSurfaceArea133.46
Druglikeness-5.3088
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms9
Amides1
Aromatic Nitrogens1
StereoCon

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