General Information of the Compound
| Compound ID |
CP0427550
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| Compound Name |
3-(2-carboxyethyl)-1H-benzo[g]indole-2-carboxylic acid
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| Structure |
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| Formula |
C16H13NO4
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| Molecular Weight |
283.283
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2c1ccc1ccccc21)C(O)=O
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| InChI |
InChI=1S/C16H13NO4/c18-13(19)8-7-12-11-6-5-9-3-1-2-4-10(9)14(11)17-15(12)16(20)21/h1-6,17H,7-8H2,(H,18,19)(H,20,21)
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| InChIKey |
UNOLVDKXVIKURS-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