General Information of the Compound
| Compound ID |
CP0459098
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| Compound Name |
3-[2-(4-methylphenyl)-1H-indol-5-yl]propanoic acid
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| Structure |
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| Formula |
C18H17NO2
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| Molecular Weight |
279.339
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc2cc(CCC(O)=O)ccc2[nH]1
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| InChI |
InChI=1S/C18H17NO2/c1-12-2-6-14(7-3-12)17-11-15-10-13(5-9-18(20)21)4-8-16(15)19-17/h2-4,6-8,10-11,19H,5,9H2,1H3,(H,20,21)
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| InChIKey |
VDQIJELECMOGQQ-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