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17-[(Z)-benzylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

Formula:C27H24N6O Mutagenic:high Tumorigenic:none Reproductive Effective:none 17-[(Z)-benzylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is a drug-like molecule.
MolName17-[(Z)-benzylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
MolecularFormulaC27H24N6O
SmilesO=C1N(CCC2=CCCCC2)C=Nc2c1c1nc3ccccc3nc1n2/N=C\c1ccccc1
InChIInChI=1S/C27H24N6O/c34-27-23-24-26(31-22-14-8-7-13-21(22)30-24)33(29-17-20-11-5-2-6-12-20)25(23)28-18-32(27)16-15-19-9-3-1-4-10-19/h2,5-9,11-14,17-18H,1,3-4,10,15-16H2
InChIKKJFWCRIYVVBGFW-UHFFFAOYSA-N
TotalMolweight448.529
Molweight448.529
MonoisotopicMass448.201159
CLogP4.9468
CLogS-8.814
H Acceptors7
TotalSurfaceArea346.78
Relative PSA0.1973
PolarSurfaceArea75.74
Druglikeness0.89559
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms19
Sp3Atoms6
Symmetricatoms2
Amides1
Aromatic Nitrogens3
StereoCon

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