General Information of the Compound
| Compound ID |
CP0007703
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| Compound Name |
N-[6-[5-(methanesulfonamido)-6-methoxypyridin-3-yl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C22H29N5O5S
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| Molecular Weight |
475.571
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCN(C)CC2)c1
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| InChI |
InChI=1S/C22H29N5O5S/c1-26-4-6-27(7-5-26)12-21(28)24-19-9-15(8-17-13-32-14-18(17)19)16-10-20(25-33(3,29)30)22(31-2)23-11-16/h8-11,25H,4-7,12-14H2,1-3H3,(H,24,28)
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| InChIKey |
GHQPWRAUSPMZSY-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