General Information of the Compound
| Compound ID |
CP0045468
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| Compound Name |
6-bromo-9a-ethyl-1-fluoro-2,8,9,10-tetrahydroindeno[2,1-e]indazol-7-one
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| Structure |
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| Formula |
C16H14BrFN2O
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| Molecular Weight |
349.203
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| Canonical SMILES |
CCC12Cc3c(ccc4[nH]nc(F)c34)C1=C(Br)C(=O)CC2
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| InChI |
InChI=1S/C16H14BrFN2O/c1-2-16-6-5-11(21)14(17)13(16)8-3-4-10-12(9(8)7-16)15(18)20-19-10/h3-4H,2,5-7H2,1H3,(H,19,20)
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| InChIKey |
SCHWUMPHNXKRIU-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