General Information of the Compound
| Compound ID |
CP0529989
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| Compound Name |
N-[4-chloro-3-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H20ClF3N4O
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| Molecular Weight |
448.876
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| Canonical SMILES |
Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2CCCCc2n1C)C(F)(F)F
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| InChI |
InChI=1S/C22H20ClF3N4O/c1-12-14(8-10-19(27-12)22(24,25)26)21(31)28-13-7-9-16(23)15(11-13)20-29-17-5-3-4-6-18(17)30(20)2/h7-11H,3-6H2,1-2H3,(H,28,31)
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| InChIKey |
ACVBCHUVZIWAEH-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