General Information of the Compound
| Compound ID |
CP0011703
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| Compound Name |
N-[6-[5-(methanesulfonamido)-6-methoxypyridin-3-yl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C24H33N5O5S
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| Molecular Weight |
503.625
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| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCN(CC2)C(C)C)c1
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| InChI |
InChI=1S/C24H33N5O5S/c1-16(2)29-7-5-28(6-8-29)13-23(30)26-21-10-17(9-19-14-34-15-20(19)21)18-11-22(27-35(4,31)32)24(33-3)25-12-18/h9-12,16,27H,5-8,13-15H2,1-4H3,(H,26,30)
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| InChIKey |
YAKFKOVTIRKZFC-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