General Information of the Compound
| Compound ID |
CP0128978
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| Compound Name |
2-[(4R)-4-[(5-ethylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]benzamide
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| Structure |
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| Formula |
C23H26F3N3O4S
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| Molecular Weight |
497.539
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| Canonical SMILES |
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1
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| InChI |
InChI=1S/C23H26F3N3O4S/c1-4-34(32,33)19-10-14-9-15(29-18(14)12-28-19)11-22(31,23(24,25)26)13-21(2,3)17-8-6-5-7-16(17)20(27)30/h5-10,12,29,31H,4,11,13H2,1-3H3,(H2,27,30)/t22-/m0/s1
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| InChIKey |
HYFZBJIDQLQGIG-QFIPXVFZSA-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