General Information of the Compound
| Compound ID |
CP0408839
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| Compound Name |
3-(2-aminobenzimidazol-1-yl)-1-(4-chlorophenyl)propan-1-one
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| Structure |
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| Formula |
C16H14ClN3O
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| Molecular Weight |
299.761
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| Canonical SMILES |
Nc1nc2ccccc2n1CCC(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H14ClN3O/c17-12-7-5-11(6-8-12)15(21)9-10-20-14-4-2-1-3-13(14)19-16(20)18/h1-8H,9-10H2,(H2,18,19)
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| InChIKey |
HDPKIGRYBURQND-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2