General Information of the Compound
| Compound ID |
CP0881224
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| Compound Name |
(2R,6S)-4-(4-Bromo-3-methyl-phenyl)-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione
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| Structure |
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| Formula |
C17H16BrNO2
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| Molecular Weight |
346.224
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| Canonical SMILES |
Cc1cc(N2C(=O)[C@@H]3C4C=CC(CC4)[C@@H]3C2=O)ccc1Br
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| InChI |
InChI=1S/C17H16BrNO2/c1-9-8-12(6-7-13(9)18)19-16(20)14-10-2-3-11(5-4-10)15(14)17(19)21/h2-3,6-8,10-11,14-15H,4-5H2,1H3/t10?,11?,14-,15+
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| InChIKey |
UZDGOIDIOAIBMA-JSHBZLHNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound