General Information of the Compound
| Compound ID |
CP0520779
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| Compound Name |
3-(4,6-dichloro-1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C11H9Cl2NO2
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| Molecular Weight |
258.104
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| Canonical SMILES |
OC(=O)CCc1c[nH]c2cc(Cl)cc(Cl)c12
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| InChI |
InChI=1S/C11H9Cl2NO2/c12-7-3-8(13)11-6(1-2-10(15)16)5-14-9(11)4-7/h3-5,14H,1-2H2,(H,15,16)
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| InChIKey |
OJSHOZDCRCJDIR-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