General Information of the Compound
| Compound ID |
CP0876453
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| Compound Name |
1-(2-(benzyloxy)-5-chlorobenzyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H21ClFN3O2
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| Molecular Weight |
449.913
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(F)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H21ClFN3O2/c1-17-13-23(25(31)28-22-10-8-21(27)9-11-22)29-30(17)15-19-14-20(26)7-12-24(19)32-16-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,28,31)
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| InChIKey |
IDKZXHILCWAGSS-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