General Information of the Compound
| Compound ID |
CP0862038
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| Compound Name |
N-(1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl)-2-methyl-2-phenylpropanamide
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| Structure |
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| Formula |
C28H28ClN3O2
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| Molecular Weight |
474.004
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| Canonical SMILES |
Cc1cc(NC(=O)C(C)(C)c2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C28H28ClN3O2/c1-20-16-26(30-27(33)28(2,3)23-12-8-5-9-13-23)31-32(20)18-22-17-24(29)14-15-25(22)34-19-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H,30,31,33)
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| InChIKey |
GLFSQIMAGZUNCH-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