General Information of the Compound
| Compound ID |
CP0514813
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| Compound Name |
3-[2-(4-bromo-2-methylphenyl)-1H-indol-5-yl]propanoic acid
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| Formula |
C18H16BrNO2
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| Molecular Weight |
358.235
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| Canonical SMILES |
Cc1cc(Br)ccc1-c1cc2cc(CCC(O)=O)ccc2[nH]1
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| InChI |
InChI=1S/C18H16BrNO2/c1-11-8-14(19)4-5-15(11)17-10-13-9-12(3-7-18(21)22)2-6-16(13)20-17/h2,4-6,8-10,20H,3,7H2,1H3,(H,21,22)
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| InChIKey |
AXXSOCDIUAORRR-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