General Information of the Compound
| Compound ID |
CP0412749
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| Compound Name |
3-[2-(2-propan-2-ylphenyl)-1H-indol-5-yl]propanoic acid
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| Structure |
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| Formula |
C20H21NO2
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| Molecular Weight |
307.393
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| Canonical SMILES |
CC(C)c1ccccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
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| InChI |
InChI=1S/C20H21NO2/c1-13(2)16-5-3-4-6-17(16)19-12-15-11-14(8-10-20(22)23)7-9-18(15)21-19/h3-7,9,11-13,21H,8,10H2,1-2H3,(H,22,23)
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| InChIKey |
LEWQLKDWVBFKQT-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