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(5Z)-3-[4-benzoyl-2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one

Formula:C45H30N4O5 Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-3-[4-benzoyl-2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
MolName(5Z)-3-[4-benzoyl-2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
MolecularFormulaC45H30N4O5
SmilesOc1c(/C=C(/C2=O)\N=C(c3ccccc3)N2c(ccc(C(c2ccccc2)=O)c2)c2N(C2=O)C(c3ccccc3)=N/C2=C\c(cccc2)c2O)cccc1
InChIInChI=1S/C45H30N4O5/c50-39-22-12-10-20-32(39)26-35-44(53)48(42(46-35)30-16-6-2-7-17-30)37-25-24-34(41(52)29-14-4-1-5-15-29)28-38(37)49-43(31-18-8-3-9-19-31)47-36(45(49)54)27-33-21-11-13-23-40(33)51/h1-28,50-51H
InChIKUNCCMOAMMRJDIH-UHFFFAOYSA-N
TotalMolweight706.756
Molweight706.756
MonoisotopicMass706.221621
CLogP7.1718
CLogS-10.424
H Acceptors9
H Donors2
TotalSurfaceArea526.97
Relative PSA0.18111
PolarSurfaceArea122.87
Druglikeness3.3698
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.33333
Fragments1
Non HAtoms54
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures8
Small Rings8
Aromatic Rings6
Aromatic Atoms36
Sp3Atoms2
Symmetricatoms6
Amides2
BasicNitrogens2
StereoCon

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