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

Formula:C25H17N2O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (15R,19S)-17-[(Z)-(2-chlorophenyl)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(15R,19S)-17-[(Z)-(2-chlorophenyl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
MolecularFormulaC25H17N2O2Cl
SmilesO=C([C@H]([C@@H](C1c2c3cccc2)C2=O)C3c3c1cccc3)N2/N=C\c(cccc1)c1Cl
InChIInChI=1S/C25H17ClN2O2/c26-19-12-6-1-7-14(19)13-27-28-24(29)22-20-15-8-2-3-9-16(15)21(23(22)25(28)30)18-11-5-4-10-17(18)20/h1-13,20-23H/t20?,21?,22-,23+
InChIKXRTOKDVYVRPPNW-MYNGYRLFSA-N
TotalMolweight412.875
Molweight412.875
MonoisotopicMass412.097855
CLogP3.7089
CLogS-5.866
H Acceptors4
TotalSurfaceArea288.26
Relative PSA0.14272
PolarSurfaceArea49.74
Druglikeness4.8339
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
Sp3Atoms4
Symmetricatoms6
StereoConmeso

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