General Information of the Compound
| Compound ID |
CP0942336
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| Compound Name |
N-(1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
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| Structure |
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| Formula |
C25H20ClF2N3O2
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| Molecular Weight |
467.903
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| Canonical SMILES |
Cc1cc(NC(=O)c2c(F)cccc2F)nn1Cc1cc(Cl)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H20ClF2N3O2/c1-16-12-23(29-25(32)24-20(27)8-5-9-21(24)28)30-31(16)14-18-13-19(26)10-11-22(18)33-15-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,29,30,32)
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| InChIKey |
MBIMMHWNYUQYKD-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