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[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C25H19N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
MolName[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormulaC25H19N3O4S2
SmilesNC(c1c(NC(COC(c2c(CC/C3=C\c4cccs4)c3nc3ccccc23)=O)=O)scc1)=O
InChIInChI=1S/C25H19N3O4S2/c26-23(30)18-9-11-34-24(18)28-20(29)13-32-25(31)21-16-5-1-2-6-19(16)27-22-14(7-8-17(21)22)12-15-4-3-10-33-15/h1-6,9-12H,7-8,13H2,(H2,26,30)(H,28,29)
InChIKMELWLZXSGLYKDQ-UHFFFAOYSA-N
TotalMolweight489.575
Molweight489.575
MonoisotopicMass489.081697
CLogP3.9745
CLogS-6.094
H Acceptors7
H Donors2
TotalSurfaceArea353.74
Relative PSA0.36055
PolarSurfaceArea167.86
Druglikeness4.6099
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms4
Amides2
Aromatic Nitrogens1
StereoCon

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