General Information of the Compound
| Compound ID |
CP0555025
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| Compound Name |
methyl 5-bromo-1H-indole-3-carboxylate
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| Structure |
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| Formula |
C10H8BrNO2
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| Molecular Weight |
254.083
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| Canonical SMILES |
COC(=O)c1c[nH]c2ccc(Br)cc12
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| InChI |
InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
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| InChIKey |
MFOKOKHNSVUKON-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