General Information of the Compound
| Compound ID |
CP0254956
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| Compound Name |
4-(acetyl)-N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-2-piperazineacetamide
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| Structure |
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| Formula |
C23H25N7O4
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| Molecular Weight |
463.498
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| Canonical SMILES |
CC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1
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| InChI |
InChI=1S/C23H25N7O4/c1-16(31)28-8-9-30(21-4-5-25-23(27-21)29-7-6-24-14-29)18(13-28)11-22(32)26-12-17-2-3-19-20(10-17)34-15-33-19/h2-7,10,14,18H,8-9,11-13,15H2,1H3,(H,26,32)
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| InChIKey |
HJZJKRIOLQAAGX-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