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4-[7-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenyl-4H-quinoxalin-6-yl]-3-phenyl-1H-quinoxalin-2-ylidene]cyclohexa-2,5-dien-1-one

Formula:C40H26N4O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[7-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenyl-4H-quinoxalin-6-yl]-3-phenyl-1H-quinoxalin-2-ylidene]cyclohexa-2,5-dien-1-one is not a drug-like molecule.
MolName4-[7-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenyl-4H-quinoxalin-6-yl]-3-phenyl-1H-quinoxalin-2-ylidene]cyclohexa-2,5-dien-1-one
MolecularFormulaC40H26N4O2
SmilesO=C(C=C1)C=CC1=C1Nc(cc(cc2)-c(cc3)cc(N4)c3N=C(c3ccccc3)C4=C(C=C3)C=CC3=O)c2N=C1c1ccccc1
InChIInChI=1S/C40H26N4O2/c45-31-17-11-27(12-18-31)39-37(25-7-3-1-4-8-25)41-33-21-15-29(23-35(33)43-39)30-16-22-34-36(24-30)44-40(28-13-19-32(46)20-14-28)38(42-34)26-9-5-2-6-10-26/h1-24,43-44H
InChIKAWZBBKDJRCFXMK-UHFFFAOYSA-N
TotalMolweight594.672
Molweight594.672
MonoisotopicMass594.205576
CLogP5.8166
CLogS-9.25
H Acceptors6
H Donors2
TotalSurfaceArea454.74
Relative PSA0.15838
PolarSurfaceArea82.92
Druglikeness-3.8757
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.43478
Fragments1
Non HAtoms46
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond3
Rings Closures8
Small Rings8
Aromatic Rings4
Aromatic Atoms24
Symmetricatoms27
StereoCon

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