General Information of the Compound
| Compound ID |
CP0140759
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| Compound Name |
6-bromo-9a-ethyl-8,9-dihydro-3H-indeno[2,3-e]indazole-7,10-dione
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| Structure |
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| Formula |
C16H13BrN2O2
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| Molecular Weight |
345.196
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| Canonical SMILES |
CCC12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1C2=O
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| InChI |
InChI=1S/C16H13BrN2O2/c1-2-16-6-5-11(20)14(17)13(16)8-3-4-10-9(7-18-19-10)12(8)15(16)21/h3-4,7H,2,5-6H2,1H3,(H,18,19)
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| InChIKey |
JUJZUIOYNCJJLQ-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