General Information of the Compound
| Compound ID |
CP0862039
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| Compound Name |
1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C16H20ClN3O2
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| Molecular Weight |
321.808
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| Canonical SMILES |
Cc1cc(C(N)=O)nn1Cc1cc(Cl)ccc1OCC(C)C
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| InChI |
InChI=1S/C16H20ClN3O2/c1-10(2)9-22-15-5-4-13(17)7-12(15)8-20-11(3)6-14(19-20)16(18)21/h4-7,10H,8-9H2,1-3H3,(H2,18,21)
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| InChIKey |
VLMVDLZKUMOTSO-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