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17-[(Z)-(4-fluorophenyl)methylideneamino]-13-(2-phenylethyl)-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:C27H19N6OF Mutagenic:high Tumorigenic:none Reproductive Effective:none 17-[(Z)-(4-fluorophenyl)methylideneamino]-13-(2-phenylethyl)-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)-(4-fluorophenyl)methylideneamino]-13-(2-phenylethyl)-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
MolecularFormulaC27H19N6OF
SmilesO=C1N(CCc2ccccc2)C=Nc2c1c1nc3ccccc3nc1n2/N=C\c(cc1)ccc1F
InChIInChI=1S/C27H19FN6O/c28-20-12-10-19(11-13-20)16-30-34-25-23(24-26(34)32-22-9-5-4-8-21(22)31-24)27(35)33(17-29-25)15-14-18-6-2-1-3-7-18/h1-13,16-17H,14-15H2
InChIKZMXGRLDBKUSYAX-UHFFFAOYSA-N
TotalMolweight462.487
Molweight462.487
MonoisotopicMass462.160437
CLogP4.7955
CLogS-8.931
H Acceptors7
TotalSurfaceArea346.64
Relative PSA0.19738
PolarSurfaceArea75.74
Druglikeness5.6133
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms2
Symmetricatoms4
Amides1
Aromatic Nitrogens3
StereoCon

Request More Details | 17-[(Z)-(4-fluorophenyl)methylideneamino]-13-(2-phenylethyl)-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


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