General Information of the Compound
| Compound ID |
CP0527030
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| Compound Name |
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-methoxy-1H-benzimidazol-2-amine
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| Structure |
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| Formula |
C16H14ClN3O3
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| Molecular Weight |
331.759
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| Canonical SMILES |
COc1ccc2nc(NCc3cc4OCOc4cc3Cl)[nH]c2c1
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| InChI |
InChI=1S/C16H14ClN3O3/c1-21-10-2-3-12-13(5-10)20-16(19-12)18-7-9-4-14-15(6-11(9)17)23-8-22-14/h2-6H,7-8H2,1H3,(H2,18,19,20)
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| InChIKey |
KSNHCWSTMZZPQQ-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