General Information of the Compound
| Compound ID |
CP0007704
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| Compound Name |
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-[6-[5-(methanesulfonamido)-6-methoxypyridin-3-yl]-1,3-dihydro-2-benzofuran-4-yl]acetamide
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| Structure |
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| Formula |
C25H34N4O6S
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| Molecular Weight |
518.636
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCC(CC2)C(C)(C)O)c1
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| InChI |
InChI=1S/C25H34N4O6S/c1-25(2,31)19-5-7-29(8-6-19)13-23(30)27-21-10-16(9-18-14-35-15-20(18)21)17-11-22(28-36(4,32)33)24(34-3)26-12-17/h9-12,19,28,31H,5-8,13-15H2,1-4H3,(H,27,30)
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| InChIKey |
QNNSHVXLMOSKGX-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