General Information of the Compound
| Compound ID |
CP0718475
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| Compound Name |
2-(4-(4-(4-(tert-pentyl)phenoxy)butyl)piperazin-1-yl)pyrimidine
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| Structure |
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| Formula |
C23H34N4O
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| Molecular Weight |
382.552
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| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1
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| InChI |
InChI=1S/C23H34N4O/c1-4-23(2,3)20-8-10-21(11-9-20)28-19-6-5-14-26-15-17-27(18-16-26)22-24-12-7-13-25-22/h7-13H,4-6,14-19H2,1-3H3
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| InChIKey |
WELARDHQWUKXHG-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