General Information of the Compound
| Compound ID |
CP0008112
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| Compound Name |
N-[2-methoxy-5-[7-[[(2R)-4-(2-methoxyethyl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C23H31N3O7S
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| Molecular Weight |
493.582
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| Canonical SMILES |
COCCN1CCO[C@@H](COc2cc(cc3COCc23)-c2cnc(OC)c(NS(C)(=O)=O)c2)C1
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| InChI |
InChI=1S/C23H31N3O7S/c1-29-6-4-26-5-7-32-19(12-26)14-33-22-10-16(8-18-13-31-15-20(18)22)17-9-21(25-34(3,27)28)23(30-2)24-11-17/h8-11,19,25H,4-7,12-15H2,1-3H3/t19-/m1/s1
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| InChIKey |
ISMBMSPGDHMMNB-LJQANCHMSA-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