General Information of the Compound
| Compound ID |
CP0464542
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| Compound Name |
5-chloro-N-methyl-6-(4-(6-(trifluoromethyl)-1H-benzo[d]-imidazol-2-yl)piperazin-1-yl)nicotinamide
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| Structure |
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| Formula |
C19H18ClF3N6O
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| Molecular Weight |
438.841
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| Canonical SMILES |
CNC(=O)c1cnc(N2CCN(CC2)c2nc3ccc(cc3[nH]2)C(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C19H18ClF3N6O/c1-24-17(30)11-8-13(20)16(25-10-11)28-4-6-29(7-5-28)18-26-14-3-2-12(19(21,22)23)9-15(14)27-18/h2-3,8-10H,4-7H2,1H3,(H,24,30)(H,26,27)
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| InChIKey |
QGXMBSXNWDTFRF-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