General Information of the Compound
| Compound ID |
CP0199394
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| Compound Name |
5-[4-[(2-chloro-6-fluorobenzoyl)-(trideuteriomethyl)amino]-3-(2,2,2-trifluoroethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H21ClF4N4O3
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| Molecular Weight |
512.891
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| Canonical SMILES |
CC(C)n1nc(cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1)C(N)=O
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| InChI |
InChI=1S/C23H21ClF4N4O3/c1-12(2)32-18(10-16(30-32)21(29)33)13-7-8-17(19(9-13)35-11-23(26,27)28)31(3)22(34)20-14(24)5-4-6-15(20)25/h4-10,12H,11H2,1-3H3,(H2,29,33)/i3D3
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| InChIKey |
SNYNZBNBEOBCLP-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