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[2-(carbamoylamino)-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C23H18N4O5 Mutagenic:low Tumorigenic:low Reproductive Effective:low [2-(carbamoylamino)-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.
MolName[2-(carbamoylamino)-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormulaC23H18N4O5
SmilesNC(NC(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=O)=O)=O
InChIInChI=1S/C23H18N4O5/c24-23(30)25-20(28)14-31-21(29)11-10-16-13-27(17-7-2-1-3-8-17)26-22(16)19-12-15-6-4-5-9-18(15)32-19/h1-13H,14H2,(H3,24,25,28,30)
InChIKUMRGWPMSRWYJPH-UHFFFAOYSA-N
TotalMolweight430.419
Molweight430.419
MonoisotopicMass430.127721
CLogP1.8813
CLogS-4.803
H Acceptors9
H Donors2
TotalSurfaceArea328.52
Relative PSA0.32814
PolarSurfaceArea129.45
Druglikeness3.3252
Mutageniclow
Tumorigeniclow
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms2
Symmetricatoms2
Amides2
Aromatic Nitrogens2
StereoCon

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