General Information of the Compound
| Compound ID |
CP0393877
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| Compound Name |
6-benzyl-3-(2-carboxyethyl)-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C19H17NO4
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| Molecular Weight |
323.348
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2cc(Cc3ccccc3)ccc12)C(O)=O
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| InChI |
InChI=1S/C19H17NO4/c21-17(22)9-8-15-14-7-6-13(10-12-4-2-1-3-5-12)11-16(14)20-18(15)19(23)24/h1-7,11,20H,8-10H2,(H,21,22)(H,23,24)
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| InChIKey |
NAHNIVZOWRTUQU-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