General Information of the Compound
| Compound ID |
CP0541725
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| Compound Name |
N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-chlorobenzamide
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| Structure |
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| Formula |
C20H19BrClN3O
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| Molecular Weight |
432.749
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br
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| InChI |
InChI=1S/C20H19BrClN3O/c1-20(2,3)13-10-8-12(9-11-13)17-16(21)18(25-24-17)23-19(26)14-6-4-5-7-15(14)22/h4-11H,1-3H3,(H2,23,24,25,26)
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| InChIKey |
VTOZEOCALIQLJJ-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