General Information of the Compound
| Compound ID |
CP0008124
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| Compound Name |
N-[5-[4-fluoro-7-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxypyridin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C25H34FN3O6S
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| Molecular Weight |
523.627
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCN2CCC(CC2)C(C)(C)O)c2COCc2c1F
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| InChI |
InChI=1S/C25H34FN3O6S/c1-25(2,30)17-5-7-29(8-6-17)9-10-35-22-12-18(23(26)20-15-34-14-19(20)22)16-11-21(28-36(4,31)32)24(33-3)27-13-16/h11-13,17,28,30H,5-10,14-15H2,1-4H3
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| InChIKey |
BMLKNOSLTGSVMD-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