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

Formula:C40H26N4O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[7-[[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenyl-4H-quinoxalin-6-yl]oxy]-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]oxy]-3-phenyl-1H-quinoxalin-2-ylidene]cyclohexa-2,5-dien-1-one
MolecularFormulaC40H26N4O3
SmilesO=C(C=C1)C=CC1=C1Nc(cc(cc2)Oc(cc3)cc(N4)c3N=C(c3ccccc3)C4=C(C=C3)C=CC3=O)c2N=C1c1ccccc1
InChIInChI=1S/C40H26N4O3/c45-29-15-11-27(12-16-29)39-37(25-7-3-1-4-8-25)41-33-21-19-31(23-35(33)43-39)47-32-20-22-34-36(24-32)44-40(28-13-17-30(46)18-14-28)38(42-34)26-9-5-2-6-10-26/h1-24,43-44H
InChIKSADNGCQQZOAHLI-UHFFFAOYSA-N
TotalMolweight610.671
Molweight610.671
MonoisotopicMass610.200491
CLogP5.553
CLogS-9.461
H Acceptors7
H Donors2
TotalSurfaceArea464.74
Relative PSA0.17649
PolarSurfaceArea92.15
Druglikeness-3.9102
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44681
Fragments1
Non HAtoms47
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures8
Small Rings8
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms1
Symmetricatoms27
StereoCon

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