General Information of the Compound
| Compound ID |
CP0533475
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| Compound Name |
N-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]methyl]-2-(2,6-difluorophenyl)acetamide
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| Formula |
C22H22ClF2N3O
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| Molecular Weight |
417.887
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Cc2c(F)cccc2F)n(n1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H22ClF2N3O/c1-22(2,3)20-11-16(28(27-20)15-7-4-6-14(23)10-15)13-26-21(29)12-17-18(24)8-5-9-19(17)25/h4-11H,12-13H2,1-3H3,(H,26,29)
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| InChIKey |
IPIJGUUSAQHFNJ-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