General Information of the Compound
| Compound ID |
CP0405480
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| Compound Name |
3-(2-carboxyethyl)-4-chloro-6-octoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C20H26ClNO5
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| Molecular Weight |
395.883
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| Canonical SMILES |
CCCCCCCCOc1cc(Cl)c2c(CCC(O)=O)c([nH]c2c1)C(O)=O
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| InChI |
InChI=1S/C20H26ClNO5/c1-2-3-4-5-6-7-10-27-13-11-15(21)18-14(8-9-17(23)24)19(20(25)26)22-16(18)12-13/h11-12,22H,2-10H2,1H3,(H,23,24)(H,25,26)
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| InChIKey |
FIXRITJTOORCHT-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