General Information of the Compound
| Compound ID |
CP0173101
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-fluoropyridin-2-yl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide
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| Structure |
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| Formula |
C26H25FN8O3
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| Molecular Weight |
516.537
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| Canonical SMILES |
Fc1cccc(n1)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1
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| InChI |
InChI=1S/C26H25FN8O3/c27-22-2-1-3-23(31-22)33-10-11-35(24-6-7-29-26(32-24)34-9-8-28-16-34)19(15-33)13-25(36)30-14-18-4-5-20-21(12-18)38-17-37-20/h1-9,12,16,19H,10-11,13-15,17H2,(H,30,36)
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| InChIKey |
ZYJJCOLCHBJORK-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