General Information of the Compound
| Compound ID |
CP0405486
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| Compound Name |
3-(2-carboxyethyl)-6-chloro-4-hexoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C18H22ClNO5
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| Molecular Weight |
367.829
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| Canonical SMILES |
CCCCCCOc1cc(Cl)cc2[nH]c(C(O)=O)c(CCC(O)=O)c12
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| InChI |
InChI=1S/C18H22ClNO5/c1-2-3-4-5-8-25-14-10-11(19)9-13-16(14)12(6-7-15(21)22)17(20-13)18(23)24/h9-10,20H,2-8H2,1H3,(H,21,22)(H,23,24)
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| InChIKey |
ZOYXOFVGUYWXCG-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