General Information of the Compound
| Compound ID |
CP0855271
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| Compound Name |
N-(1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl)acetamide
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| Structure |
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| Formula |
C20H20ClN3O2
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| Molecular Weight |
369.852
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| Canonical SMILES |
CC(=O)Nc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccccc2)n1
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| InChI |
InChI=1S/C20H20ClN3O2/c1-14-10-20(22-15(2)25)23-24(14)12-17-11-18(21)8-9-19(17)26-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,23,25)
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| InChIKey |
LEQUKKICQBOIPT-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