General Information of the Compound
| Compound ID |
CP0012056
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| Compound Name |
14-bromo-18-methyl-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 |
C17H13BrN2O
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| Molecular Weight |
341.208
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| Canonical SMILES |
Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
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| InChI |
InChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
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| InChIKey |
CYWSKAGHMPTBMS-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