General Information of the Compound
| Compound ID |
CP0007706
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| Compound Name |
N-[5-[(3R)-7-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3-methyl-1,3-dihydro-2-benzofuran-5-yl]-2-methoxypyridin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C26H37N3O6S
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| Molecular Weight |
519.664
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2[C@@H](C)OCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
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| InChI |
InChI=1S/C26H37N3O6S/c1-17-21-12-18(19-13-23(28-36(5,31)32)25(33-4)27-15-19)14-24(22(21)16-35-17)34-11-10-29-8-6-20(7-9-29)26(2,3)30/h12-15,17,20,28,30H,6-11,16H2,1-5H3/t17-/m1/s1
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| InChIKey |
QFLSXXXDGXJLLZ-QGZVFWFLSA-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