General Information of the Compound
| Compound ID |
CP0199395
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| Compound Name |
N-[4-(5-acetamido-2-propan-2-ylpyrazol-3-yl)-2-(2-methylpropoxy)phenyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
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| Structure |
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| Formula |
C26H30ClFN4O3
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| Molecular Weight |
501.002
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| Canonical SMILES |
CC(C)COc1cc(ccc1N(C)C(=O)c1c(F)cccc1Cl)-c1cc(NC(C)=O)nn1C(C)C
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| InChI |
InChI=1S/C26H30ClFN4O3/c1-15(2)14-35-23-12-18(22-13-24(29-17(5)33)30-32(22)16(3)4)10-11-21(23)31(6)26(34)25-19(27)8-7-9-20(25)28/h7-13,15-16H,14H2,1-6H3,(H,29,30,33)/i6D3
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| InChIKey |
FULLABAUEBBPKT-UNLAWSRZSA-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