General Information of the Compound
| Compound ID |
CP0223232
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| Compound Name |
5-Benzyloxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C16H13NO3
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| Molecular Weight |
267.284
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| Canonical SMILES |
OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
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| InChI |
InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)
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| InChIKey |
MVCLSAMNMAWXFQ-UHFFFAOYSA-N
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| CAS |
6640-09-1
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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