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(15S,19R)-17-[(Z)-(3-hydroxyphenyl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Formula:C25H18N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (15S,19R)-17-[(Z)-(3-hydroxyphenyl)methylideneamino]-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)-(3-hydroxyphenyl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
MolecularFormulaC25H18N2O3
SmilesOc1cccc(/C=N\N(C([C@H]([C@H]2C3c4c5cccc4)C5c4c3cccc4)=O)C2=O)c1
InChIInChI=1S/C25H18N2O3/c28-15-7-5-6-14(12-15)13-26-27-24(29)22-20-16-8-1-2-9-17(16)21(23(22)25(27)30)19-11-4-3-10-18(19)20/h1-13,20-23,28H/t20?,21?,22-,23-/m1/s1
InChIKLNKGIOGBYYJFHT-BWWMBTDCSA-N
TotalMolweight394.429
Molweight394.429
MonoisotopicMass394.131743
CLogP2.7572
CLogS-4.834
H Acceptors5
H Donors1
TotalSurfaceArea279.19
Relative PSA0.19428
PolarSurfaceArea69.97
Druglikeness4.7849
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.43333
Fragments1
Non HAtoms30
NonCHAtoms5
Electronegative Atoms5
StereoCenters2
Rotatable Bond2
Rings Closures6
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms6
StereoConmeso

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