General Information of the Compound
| Compound ID |
CP0520778
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| Compound Name |
3-(2-carboxyethyl)-6-thiophen-2-yl-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C16H13NO4S
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| Molecular Weight |
315.35
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2cc(ccc12)-c1cccs1)C(O)=O
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| InChI |
InChI=1S/C16H13NO4S/c18-14(19)6-5-11-10-4-3-9(13-2-1-7-22-13)8-12(10)17-15(11)16(20)21/h1-4,7-8,17H,5-6H2,(H,18,19)(H,20,21)
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| InChIKey |
AMAFEJDZNWWFOR-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