General Information of the Compound
| Compound ID |
CP0852617
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| Compound Name |
2-{[6-(4-Amino-3,5-dimethylphenoxy)-1-methyl-1Hbenzimidazol-2-yl]methoxy}benzoic acid dihydrochloride
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| Structure |
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| Formula |
C24H25Cl2N3O4
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| Molecular Weight |
490.387
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| Canonical SMILES |
Cc1cc(Oc2ccc3nc(COc4ccccc4C(=O)O)n(C)c3c2)cc(C)c1N.Cl.Cl
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| InChI |
InChI=1S/C24H23N3O4.2ClH/c1-14-10-17(11-15(2)23(14)25)31-16-8-9-19-20(12-16)27(3)22(26-19)13-30-21-7-5-4-6-18(21)24(28)29;;/h4-12H,13,25H2,1-3H3,(H,28,29);2*1H
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| InChIKey |
CMXFYYVOQLVZNM-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