General Information of the Compound
| Compound ID |
CP0343981
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-methylsulfonylpiperazin-2-yl]acetamide
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| Structure |
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| Formula |
C23H27N7O5S
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| Molecular Weight |
513.58
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| Canonical SMILES |
Cc1cc(nc(n1)-n1ccnc1)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H27N7O5S/c1-16-9-21(27-23(26-16)29-6-5-24-14-29)28-7-8-30(36(2,32)33)18(13-28)11-22(31)25-12-17-3-4-19-20(10-17)35-15-34-19/h3-6,9-10,14,18H,7-8,11-13,15H2,1-2H3,(H,25,31)
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| InChIKey |
DKDAINNDAVRQIB-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