General Information of the Compound
| Compound ID |
CP0010167
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| Compound Name |
N-[5-[7-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxypyridin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C24H33N3O5S
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| Molecular Weight |
475.611
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(CCCN2C[C@H](C)O[C@H](C)C2)c1
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| InChI |
InChI=1S/C24H33N3O5S/c1-16-12-27(13-17(2)32-16)7-5-6-18-8-19(9-21-14-31-15-22(18)21)20-10-23(26-33(4,28)29)24(30-3)25-11-20/h8-11,16-17,26H,5-7,12-15H2,1-4H3/t16-,17+
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| InChIKey |
STEAIIFDOKDEOW-CALCHBBNSA-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