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17-[(Z)-(3-chlorophenyl)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:C27H19N6OCl Mutagenic:high Tumorigenic:none Reproductive Effective:none 17-[(Z)-(3-chlorophenyl)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 not a drug-like molecule.
MolName17-[(Z)-(3-chlorophenyl)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
MolecularFormulaC27H19N6OCl
SmilesO=C1N(CCc2ccccc2)C=Nc2c1c1nc3ccccc3nc1n2/N=C\c1cccc(Cl)c1
InChIInChI=1S/C27H19ClN6O/c28-20-10-6-9-19(15-20)16-30-34-25-23(24-26(34)32-22-12-5-4-11-21(22)31-24)27(35)33(17-29-25)14-13-18-7-2-1-3-8-18/h1-12,15-17H,13-14H2
InChIKPIHZRYWIBCSCKO-UHFFFAOYSA-N
TotalMolweight478.942
Molweight478.942
MonoisotopicMass478.130886
CLogP5.3007
CLogS-9.353
H Acceptors7
TotalSurfaceArea355.71
Relative PSA0.19235
PolarSurfaceArea75.74
Druglikeness6.9721
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms2
Symmetricatoms2
Amides1
Aromatic Nitrogens3
StereoCon

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