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1,3-dioxo-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-[3-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide

Formula:C46H31N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1,3-dioxo-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-[3-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide is not a drug-like molecule.
MolName1,3-dioxo-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-[3-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]carbamoyl]phenyl]isoindole-5-carboxamide
MolecularFormulaC46H31N3O6
SmilesO=C(/C=C/c(cc1)ccc1NC(c(cc1)cc(C(N2c3cc(C(Nc4ccc(/C=C/C(c5ccccc5)=O)cc4)=O)ccc3)=O)c1C2=O)=O)c1ccccc1
InChIInChI=1S/C46H31N3O6/c50-41(32-8-3-1-4-9-32)26-18-30-14-21-36(22-15-30)47-43(52)34-12-7-13-38(28-34)49-45(54)39-25-20-35(29-40(39)46(49)55)44(53)48-37-23-16-31(17-24-37)19-27-42(51)33-10-5-2-6-11-33/h1-29H,(H,47,52)(H,48,53)
InChIKVXEVPQYUEAJYRW-UHFFFAOYSA-N
TotalMolweight721.767
Molweight721.767
MonoisotopicMass721.221287
CLogP8.0722
CLogS-10.942
H Acceptors9
H Donors2
TotalSurfaceArea551.28
Relative PSA0.18994
PolarSurfaceArea129.72
Druglikeness3.1165
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61818
Fragments1
Non HAtoms55
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond11
Rings Closures7
Small Rings7
Aromatic Rings6
Aromatic Atoms36
Symmetricatoms8
Amides3
StereoCon

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