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

Formula:C27H20N4O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (2S,8S)-6-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is not a drug-like molecule.
MolName(2S,8S)-6-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
MolecularFormulaC27H20N4O2Cl2
SmilesO=C(CN(C([C@@H]1Cc2c3[nH]c4c2cccc4)=O)/N=C\c(c(Cl)ccc2)c2Cl)N1[C@H]3c1ccccc1
InChIInChI=1S/C27H20Cl2N4O2/c28-20-10-6-11-21(29)19(20)14-30-32-15-24(34)33-23(27(32)35)13-18-17-9-4-5-12-22(17)31-25(18)26(33)16-7-2-1-3-8-16/h1-12,14,23,26,31H,13,15H2/t23-,26-/m0/s1
InChIKHPMXFJFLTDDSFA-OZXSUGGESA-N
TotalMolweight503.388
Molweight503.388
MonoisotopicMass502.09633
CLogP5.1547
CLogS-6.328
H Acceptors6
H Donors1
TotalSurfaceArea354.17
Relative PSA0.16568
PolarSurfaceArea68.77
Druglikeness7.2684
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.42857
Fragments1
Non HAtoms35
NonCHAtoms8
Electronegative Atoms8
StereoCenters2
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms4
Symmetricatoms5
Amides1
Aromatic Nitrogens1
StereoConthis enantiomer

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