General Information of the Compound
| Compound ID |
CP0534376
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| Compound Name |
methyl 5-phenyl-1H-indole-3-carboxylate
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| Formula |
C16H13NO2
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| Molecular Weight |
251.285
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| Canonical SMILES |
COC(=O)c1c[nH]c2ccc(cc12)-c1ccccc1
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| InChI |
InChI=1S/C16H13NO2/c1-19-16(18)14-10-17-15-8-7-12(9-13(14)15)11-5-3-2-4-6-11/h2-10,17H,1H3
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| InChIKey |
GYRBRRHLWKNHTH-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