General Information of the Compound
| Compound ID |
CP0241979
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| Compound Name |
3-(3,4-dichlorophenyl)-4-(6-iodo-1H-benzimidazol-2-yl)butanoic acid
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| Structure |
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| Formula |
C17H13Cl2IN2O2
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| Molecular Weight |
475.113
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| Canonical SMILES |
OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H13Cl2IN2O2/c18-12-3-1-9(5-13(12)19)10(7-17(23)24)6-16-21-14-4-2-11(20)8-15(14)22-16/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24)
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| InChIKey |
QUWVIJIYNFIZHM-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