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(15S,19R)-17-[(Z)-furan-2-ylmethylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Formula:C23H16N2O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none (15S,19R)-17-[(Z)-furan-2-ylmethylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is a drug-like molecule.
MolName(15S,19R)-17-[(Z)-furan-2-ylmethylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
MolecularFormulaC23H16N2O3
SmilesO=C([C@H]([C@@H](C1c2c3cccc2)C2=O)C3c3c1cccc3)N2/N=C\c1ccco1
InChIInChI=1S/C23H16N2O3/c26-22-20-18-14-7-1-2-8-15(14)19(17-10-4-3-9-16(17)18)21(20)23(27)25(22)24-12-13-6-5-11-28-13/h1-12,18-21H/t18?,19?,20-,21-/m1/s1
InChIKZBOWLFYYHHLFEU-TZWRJOPASA-N
TotalMolweight368.391
Molweight368.391
MonoisotopicMass368.116093
CLogP2.2916
CLogS-4.812
H Acceptors5
TotalSurfaceArea262.53
Relative PSA0.21045
PolarSurfaceArea62.88
Druglikeness4.5217
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.42857
Fragments1
Non HAtoms28
NonCHAtoms5
Electronegative Atoms5
StereoCenters2
Rotatable Bond2
Rings Closures6
Small Rings7
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms6
StereoConmeso

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