General Information of the Compound
| Compound ID |
CP0339839
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-2-yl]acetamide
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| Structure |
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| Formula |
C22H25N7O3
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| Molecular Weight |
435.488
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| Canonical SMILES |
Cc1cc(nc(n1)-n1ccnc1)N1CCNC(CC(=O)NCc2ccc3OCOc3c2)C1
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| InChI |
InChI=1S/C22H25N7O3/c1-15-8-20(27-22(26-15)29-6-4-23-13-29)28-7-5-24-17(12-28)10-21(30)25-11-16-2-3-18-19(9-16)32-14-31-18/h2-4,6,8-9,13,17,24H,5,7,10-12,14H2,1H3,(H,25,30)
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| InChIKey |
NQPBHEDOJDMNSV-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