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(4E)-4-[[3-[[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]amino]anilino]methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione

Formula:C40H24N4O4F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[3-[[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]amino]anilino]methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione is not a drug-like molecule.
MolName(4E)-4-[[3-[[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]amino]anilino]methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
MolecularFormulaC40H24N4O4F6
SmilesO=C(/C(/c1c2cccc1)=C/Nc1cccc(N/C=C(/c(cccc3)c3C(N3c4c(C(F)(F)F)cccc4)=O)\C3=O)c1)N(c1c(C(F)(F)F)cccc1)C2=O
InChIInChI=1S/C40H24F6N4O4/c41-39(42,43)31-16-5-7-18-33(31)49-35(51)27-14-3-1-12-25(27)29(37(49)53)21-47-23-10-9-11-24(20-23)48-22-30-26-13-2-4-15-28(26)36(52)50(38(30)54)34-19-8-6-17-32(34)40(44,45)46/h1-22,47-48H
InChIKZNKLOPDGZNZZMN-UHFFFAOYSA-N
TotalMolweight738.643
Molweight738.643
MonoisotopicMass738.170174
CLogP6.3274
CLogS-9.426
H Acceptors8
H Donors2
TotalSurfaceArea508.16
Relative PSA0.16172
PolarSurfaceArea98.82
Druglikeness-4.3557
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.38889
Fragments1
Non HAtoms54
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond8
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms2
Symmetricatoms4
Amides2
StereoCon

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