General Information of the Compound
| Compound ID |
CP0949859
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| Compound Name |
N-(1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl)-2-cyclohexylacetamide
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| Structure |
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| Formula |
C26H30ClN3O2
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| Molecular Weight |
451.998
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| Canonical SMILES |
Cc1cc(NC(=O)CC2CCCCC2)nn1Cc1cc(Cl)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C26H30ClN3O2/c1-19-14-25(28-26(31)15-20-8-4-2-5-9-20)29-30(19)17-22-16-23(27)12-13-24(22)32-18-21-10-6-3-7-11-21/h3,6-7,10-14,16,20H,2,4-5,8-9,15,17-18H2,1H3,(H,28,29,31)
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| InChIKey |
BLZBWEDSYVXFDZ-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