General Information of the Compound
| Compound ID |
CP0343454
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| Compound Name |
N-[4-[5-(2-amino-2-oxoethyl)-2-propan-2-ylpyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)phenyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
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| Structure |
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| Formula |
C24H23ClF4N4O3
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| Molecular Weight |
526.918
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| Canonical SMILES |
CC(C)n1nc(CC(N)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1
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| InChI |
InChI=1S/C24H23ClF4N4O3/c1-13(2)33-19(10-15(31-33)11-21(30)34)14-7-8-18(20(9-14)36-12-24(27,28)29)32(3)23(35)22-16(25)5-4-6-17(22)26/h4-10,13H,11-12H2,1-3H3,(H2,30,34)/i3D3
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| InChIKey |
RBGCOAOGWQWWRI-HPRDVNIFSA-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