General Information of the Compound
| Compound ID |
CP0007709
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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]-2-methoxyethanesulfonamide
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| Structure |
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| Formula |
C28H41N3O7S
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| Molecular Weight |
563.717
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| Canonical SMILES |
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
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| InChI |
InChI=1S/C28H41N3O7S/c1-28(2,32)23-5-8-31(9-6-23)10-12-38-26-17-20(15-22-19-37-11-7-24(22)26)21-16-25(27(36-4)29-18-21)30-39(33,34)14-13-35-3/h15-18,23,30,32H,5-14,19H2,1-4H3
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| InChIKey |
PWOYOIVVVCAQON-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