General Information of the Compound
| Compound ID |
CP0763721
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| Compound Name |
5-fluoro-2-(5,5,5-trifluoro-4-hydroxy-2-methyl-4-((5-(methylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)pentan-2-yl)benzamide
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| Structure |
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| Formula |
C22H23F4N3O4S
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| Molecular Weight |
501.502
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| Canonical SMILES |
CC(C)(CC(O)(Cc1cc2cc(S(C)(=O)=O)ncc2[nH]1)C(F)(F)F)c1ccc(F)cc1C(N)=O
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| InChI |
InChI=1S/C22H23F4N3O4S/c1-20(2,16-5-4-13(23)8-15(16)19(27)30)11-21(31,22(24,25)26)9-14-6-12-7-18(34(3,32)33)28-10-17(12)29-14/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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| InChIKey |
OXRSLCFSOLYHEH-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