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propan-2-yl 4-[(15S,19R)-1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoate

Formula:C28H21NO4Br2 Mutagenic:high Tumorigenic:high Reproductive Effective:high propan-2-yl 4-[(15S,19R)-1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoate is not a drug-like molecule.
MolNamepropan-2-yl 4-[(15S,19R)-1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoate
MolecularFormulaC28H21NO4Br2
SmilesCC(C)OC(c(cc1)ccc1N(C([C@H]([C@H]1C(c2c3cccc2)(c2c4cccc2)Br)C34Br)=O)C1=O)=O
InChIInChI=1S/C28H21Br2NO4/c1-15(2)35-26(34)16-11-13-17(14-12-16)31-24(32)22-23(25(31)33)28(30)19-8-4-3-7-18(19)27(22,29)20-9-5-6-10-21(20)28/h3-15,22-23H,1-2H3/t22-,23-,27?,28?/m1/s1
InChIKRSXQPXSRIYFPNQ-CLOGCQCWSA-N
TotalMolweight595.286
Molweight595.286
MonoisotopicMass592.983731
CLogP5.3106
CLogS-10.369
H Acceptors5
TotalSurfaceArea345.93
Relative PSA0.15226
PolarSurfaceArea63.68
Druglikeness-4.1259
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionssec./tert. alkyl-bromide/iodide
Shape Index0.42857
Fragments1
Non HAtoms35
NonCHAtoms7
Electronegative Atoms7
StereoCenters2
Rotatable Bond4
Rings Closures6
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms8
Symmetricatoms9
Amides1
StereoConmeso

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