General Information of the Compound
| Compound ID |
CP0051688
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| Compound Name |
2-[1-acetyl-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
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| Structure |
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| Formula |
C24H27N7O4
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| Molecular Weight |
477.525
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| Canonical SMILES |
CC(=O)N1CCN(CC1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
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| InChI |
InChI=1S/C24H27N7O4/c1-16-9-22(28-24(27-16)30-6-5-25-14-30)29-7-8-31(17(2)32)19(13-29)11-23(33)26-12-18-3-4-20-21(10-18)35-15-34-20/h3-6,9-10,14,19H,7-8,11-13,15H2,1-2H3,(H,26,33)
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| InChIKey |
PRXHAUDSZIOYDL-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