General Information of the Compound
| Compound ID |
CP0551564
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| Compound Name |
3-[2-(2,6-dichlorophenyl)-1H-indol-5-yl]propanoic acid
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| Formula |
C17H13Cl2NO2
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| Molecular Weight |
334.202
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| Canonical SMILES |
OC(=O)CCc1ccc2[nH]c(cc2c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C17H13Cl2NO2/c18-12-2-1-3-13(19)17(12)15-9-11-8-10(5-7-16(21)22)4-6-14(11)20-15/h1-4,6,8-9,20H,5,7H2,(H,21,22)
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| InChIKey |
YGPVQAOKSAQPED-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