General Information of the Compound
| Compound ID |
CP0235572
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| Compound Name |
3-(4-tert-butylphenyl)-4-(6-iodo-1H-benzimidazol-2-yl)butanoic acid
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| Structure |
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| Formula |
C21H23IN2O2
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| Molecular Weight |
462.331
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1
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| InChI |
InChI=1S/C21H23IN2O2/c1-21(2,3)15-6-4-13(5-7-15)14(11-20(25)26)10-19-23-17-9-8-16(22)12-18(17)24-19/h4-9,12,14H,10-11H2,1-3H3,(H,23,24)(H,25,26)
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| InChIKey |
ZMZDOSJLWMYPMX-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