General Information of the Compound
| Compound ID |
CP0949858
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| Compound Name |
N-(1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl)-2-(pyridin-2-yl)acetamide
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| Structure |
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| Formula |
C25H23ClN4O2
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| Molecular Weight |
446.938
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| Canonical SMILES |
Cc1cc(NC(=O)Cc2ccccn2)nn1Cc1cc(Cl)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H23ClN4O2/c1-18-13-24(28-25(31)15-22-9-5-6-12-27-22)29-30(18)16-20-14-21(26)10-11-23(20)32-17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,28,29,31)
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| InChIKey |
DKMLTVYPFSGWSD-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