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(15R,19R)-17-(4-bromophenyl)-1-[(Z)-hydroxyiminomethyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Formula:C25H17N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (15R,19R)-17-(4-bromophenyl)-1-[(Z)-hydroxyiminomethyl]-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,19R)-17-(4-bromophenyl)-1-[(Z)-hydroxyiminomethyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
MolecularFormulaC25H17N2O3Br
SmilesO/N=C\C([C@@H]([C@@H](C12)C(N3c(cc4)ccc4Br)=O)C3=O)(c3c2cccc3)c2c1cccc2
InChIInChI=1S/C25H17BrN2O3/c26-14-9-11-15(12-10-14)28-23(29)21-20-16-5-1-3-7-18(16)25(13-27-31,22(21)24(28)30)19-8-4-2-6-17(19)20/h1-13,20-22,31H/t20?,21-,22+,25?/m0/s1
InChIKMKCXQMNDOQUWRG-ZKKFKWFVSA-N
TotalMolweight473.325
Molweight473.325
MonoisotopicMass472.042254
CLogP3.8703
CLogS-5.556
H Acceptors5
H Donors1
TotalSurfaceArea295.73
Relative PSA0.18341
PolarSurfaceArea69.97
Druglikeness1.2516
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.3871
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
StereoCenters2
Rotatable Bond2
Rings Closures6
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms8
Amides1
StereoConthis enantiomer

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