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(2R,8S)-6-[(Z)-benzylideneamino]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Formula:C27H22N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,8S)-6-[(Z)-benzylideneamino]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
MolName(2R,8S)-6-[(Z)-benzylideneamino]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
MolecularFormulaC27H22N4O2
SmilesO=C(CN(C([C@@H]1Cc2c3[nH]c4c2cccc4)=O)/N=C\c2ccccc2)N1[C@@H]3c1ccccc1
InChIInChI=1S/C27H22N4O2/c32-24-17-30(28-16-18-9-3-1-4-10-18)27(33)23-15-21-20-13-7-8-14-22(20)29-25(21)26(31(23)24)19-11-5-2-6-12-19/h1-14,16,23,26,29H,15,17H2/t23-,26+/m0/s1
InChIKRPTRLRALCMUVPZ-JYFHCDHNSA-N
TotalMolweight434.498
Molweight434.498
MonoisotopicMass434.174276
CLogP3.9427
CLogS-4.856
H Acceptors6
H Donors1
TotalSurfaceArea323.33
Relative PSA0.18149
PolarSurfaceArea68.77
Druglikeness7.2432
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.45455
Fragments1
Non HAtoms33
NonCHAtoms6
Electronegative Atoms6
StereoCenters2
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms4
Symmetricatoms4
Amides1
Aromatic Nitrogens1
StereoConthis enantiomer

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