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17-[(Z)-(3-nitrophenyl)methylideneamino]-13-phenyl-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:C25H15N7O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 17-[(Z)-(3-nitrophenyl)methylideneamino]-13-phenyl-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)-(3-nitrophenyl)methylideneamino]-13-phenyl-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
MolecularFormulaC25H15N7O3
Smiles[O-][N+](c1cc(/C=N\n2c3nc4ccccc4nc3c3c2N=CN(c2ccccc2)C3=O)ccc1)=O
InChIInChI=1S/C25H15N7O3/c33-25-21-22-24(29-20-12-5-4-11-19(20)28-22)31(27-14-16-7-6-10-18(13-16)32(34)35)23(21)26-15-30(25)17-8-2-1-3-9-17/h1-15H
InChIKKZXQBNBTLQUBHW-UHFFFAOYSA-N
TotalMolweight461.44
Molweight461.44
MonoisotopicMass461.123638
CLogP3.4201
CLogS-9.487
H Acceptors10
TotalSurfaceArea336.44
Relative PSA0.29378
PolarSurfaceArea121.56
Druglikeness0.71162
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.45714
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms25
Sp3Atoms1
Symmetricatoms2
Amides1
Aromatic Nitrogens3
AcidicOxygens1
StereoCon

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