General Information of the Compound
| Compound ID |
CP0006997
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| Compound Name |
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[6-[5-(methanesulfonamido)-6-methoxypyridin-3-yl]-1,3-dihydro-2-benzofuran-4-yl]acetamide
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| Structure |
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| Formula |
C23H30N4O6S
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| Molecular Weight |
490.582
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c1
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| InChI |
InChI=1S/C23H30N4O6S/c1-14-9-27(10-15(2)33-14)11-22(28)25-20-6-16(5-18-12-32-13-19(18)20)17-7-21(26-34(4,29)30)23(31-3)24-8-17/h5-8,14-15,26H,9-13H2,1-4H3,(H,25,28)/t14-,15+
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| InChIKey |
QCHAOISPBKKHFV-GASCZTMLSA-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