General Information of the Compound
| Compound ID |
CP0718476
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| Compound Name |
2-(4-(3-(4-(tert-butyl)phenoxy)propyl)piperazin-1-yl)pyrimidine
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| Structure |
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| Formula |
C21H30N4O
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| Molecular Weight |
354.498
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| Canonical SMILES |
CC(C)(C)c1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1
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| InChI |
InChI=1S/C21H30N4O/c1-21(2,3)18-6-8-19(9-7-18)26-17-5-12-24-13-15-25(16-14-24)20-22-10-4-11-23-20/h4,6-11H,5,12-17H2,1-3H3
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| InChIKey |
QCNNKYMBKBKXDB-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