General Information of the Compound
| Compound ID |
CP0559987
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| Compound Name |
1-[(4-methoxyphenyl)methyl]-N-methyl-N-prop-2-ynylbenzimidazole-2-carboxamide
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| Formula |
C20H19N3O2
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| Molecular Weight |
333.391
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| Canonical SMILES |
COc1ccc(Cn2c(nc3ccccc23)C(=O)N(C)CC#C)cc1
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| InChI |
InChI=1S/C20H19N3O2/c1-4-13-22(2)20(24)19-21-17-7-5-6-8-18(17)23(19)14-15-9-11-16(25-3)12-10-15/h1,5-12H,13-14H2,2-3H3
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| InChIKey |
HIHAWEKQYQADCL-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