General Information of the Compound
| Compound ID |
CP0535024
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[5-tert-butyl-2-(3,5-dichlorophenyl)pyrazol-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C23H23Cl2N3O3
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| Molecular Weight |
460.361
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Cc2ccc3OCOc3c2)n(n1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C23H23Cl2N3O3/c1-23(2,3)21-11-18(28(27-21)17-9-15(24)8-16(25)10-17)12-26-22(29)7-14-4-5-19-20(6-14)31-13-30-19/h4-6,8-11H,7,12-13H2,1-3H3,(H,26,29)
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| InChIKey |
SXKHKYALQKYVDY-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