General Information of the Compound
| Compound ID |
CP0002488
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| Compound Name |
14-bromo-6-methoxy-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one
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| Structure |
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| Formula |
C17H13BrN2O2
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| Molecular Weight |
357.207
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| Canonical SMILES |
COc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
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| InChI |
InChI=1S/C17H13BrN2O2/c1-22-14-4-2-3-10-16-12(8-15(21)20-17(10)14)11-7-9(18)5-6-13(11)19-16/h2-7,19H,8H2,1H3,(H,20,21)
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| InChIKey |
IZRNPQQLTKFPRZ-UHFFFAOYSA-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