General Information of the Compound
| Compound ID |
CP0008116
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| Compound Name |
N-[2-methoxy-5-[7-[[(2S)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C21H27N3O6S
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| Molecular Weight |
449.529
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1
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| InChI |
InChI=1S/C21H27N3O6S/c1-24-4-5-29-17(10-24)12-30-20-8-14(6-16-11-28-13-18(16)20)15-7-19(23-31(3,25)26)21(27-2)22-9-15/h6-9,17,23H,4-5,10-13H2,1-3H3/t17-/m0/s1
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| InChIKey |
LAKNCFVOLBSBLJ-KRWDZBQOSA-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