General Information of the Compound
| Compound ID |
CP0770439
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| Compound Name |
2-(5,5,5-trifluoro-4-hydroxy-2-methyl-4-((5-morpholino-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)pentan-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C24H29F3N4O4S
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| Molecular Weight |
526.581
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| Canonical SMILES |
CC(C)(CC(O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1S(N)(=O)=O
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| InChI |
InChI=1S/C24H29F3N4O4S/c1-22(2,18-5-3-4-6-20(18)36(28,33)34)15-23(32,24(25,26)27)13-17-11-16-12-21(29-14-19(16)30-17)31-7-9-35-10-8-31/h3-6,11-12,14,30,32H,7-10,13,15H2,1-2H3,(H2,28,33,34)
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| InChIKey |
BAOUXBDVAPNGRU-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