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

Formula:C45H28N6O7 Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-3-[4-benzoyl-2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
MolName(5Z)-3-[4-benzoyl-2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
MolecularFormulaC45H28N6O7
Smiles[O-][N+](c1c(/C=C(/C2=O)\N=C(c3ccccc3)N2c(ccc(C(c2ccccc2)=O)c2)c2N(C2=O)C(c3ccccc3)=N/C2=C\c(cccc2)c2[N+]([O-])=O)cccc1)=O
InChIInChI=1S/C45H28N6O7/c52-41(29-14-4-1-5-15-29)34-24-25-39(48-42(30-16-6-2-7-17-30)46-35(44(48)53)26-32-20-10-12-22-37(32)50(55)56)40(28-34)49-43(31-18-8-3-9-19-31)47-36(45(49)54)27-33-21-11-13-23-38(33)51(57)58/h1-28H
InChIKSKFHIRWATYIGBX-UHFFFAOYSA-N
TotalMolweight764.752
Molweight764.752
MonoisotopicMass764.201949
CLogP5.902
CLogS-11.936
H Acceptors13
TotalSurfaceArea561.61
Relative PSA0.23162
PolarSurfaceArea174.05
Druglikeness-1.7212
Mutagenichigh
Tumorigeniclow
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.31034
Fragments1
Non HAtoms58
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond10
Rings Closures8
Small Rings8
Aromatic Rings6
Aromatic Atoms36
Sp3Atoms2
Symmetricatoms6
Amides2
BasicNitrogens2
AcidicOxygens2
StereoCon

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