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5-[(Z)-(4-fluorophenyl)methylideneamino]-13-(furan-2-yl)-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Formula:C26H15N4O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(Z)-(4-fluorophenyl)methylideneamino]-13-(furan-2-yl)-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one is a drug-like molecule.
MolName5-[(Z)-(4-fluorophenyl)methylideneamino]-13-(furan-2-yl)-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
MolecularFormulaC26H15N4O3F
SmilesO=C(c(oc1c2c(-c3ccco3)cc(-c3ccccc3)n1)c2N=C1)N1/N=C\c(cc1)ccc1F
InChIInChI=1S/C26H15FN4O3/c27-18-10-8-16(9-11-18)14-29-31-15-28-23-22-19(21-7-4-12-33-21)13-20(17-5-2-1-3-6-17)30-25(22)34-24(23)26(31)32/h1-15H
InChIKQWAJPIYMDZOVLP-UHFFFAOYSA-N
TotalMolweight450.428
Molweight450.428
MonoisotopicMass450.112819
CLogP4.9955
CLogS-8.56
H Acceptors7
TotalSurfaceArea335.7
Relative PSA0.23473
PolarSurfaceArea84.2
Druglikeness3.0183
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms26
Symmetricatoms4
Aromatic Nitrogens1
StereoCon

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