General Information of the Compound
| Compound ID |
CP0006998
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| Compound Name |
N-[5-[5-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-isochromen-7-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)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
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| InChI |
InChI=1S/C26H37N3O6S/c1-26(2,30)21-5-8-29(9-6-21)10-12-35-24-15-18(13-20-17-34-11-7-22(20)24)19-14-23(28-36(4,31)32)25(33-3)27-16-19/h13-16,21,28,30H,5-12,17H2,1-4H3
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| InChIKey |
CEZPDVYYTANHKN-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