General Information of the Compound
| Compound ID |
CP0377462
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| Compound Name |
2-(4-Dibenzofuran-4-ylmethyl-piperazin-1-yl)-pyrimidine
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
C(N1CCN(CC1)c1ncccn1)c1cccc2c3ccccc3oc12
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| InChI |
InChI=1S/C21H20N4O/c1-2-8-19-17(6-1)18-7-3-5-16(20(18)26-19)15-24-11-13-25(14-12-24)21-22-9-4-10-23-21/h1-10H,11-15H2
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| InChIKey |
VXKQWPOVAUPAIV-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