General Information of the Compound
| Compound ID |
CP0402723
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| Compound Name |
3-[2-(4-chlorophenyl)-1-methylindol-5-yl]propanoic acid
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| Structure |
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| Formula |
C18H16ClNO2
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| Molecular Weight |
313.784
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| Canonical SMILES |
Cn1c(cc2cc(CCC(O)=O)ccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H16ClNO2/c1-20-16-8-2-12(3-9-18(21)22)10-14(16)11-17(20)13-4-6-15(19)7-5-13/h2,4-8,10-11H,3,9H2,1H3,(H,21,22)
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| InChIKey |
SPEOIBQTTZVEEF-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