General Information of the Compound
| Compound ID |
CP0494462
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| Compound Name |
2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]pyrazine
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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(CC2)c2cnccn2)cc1
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| InChI |
InChI=1S/C21H30N4O/c1-21(2,3)18-5-7-19(8-6-18)26-16-4-11-24-12-14-25(15-13-24)20-17-22-9-10-23-20/h5-10,17H,4,11-16H2,1-3H3
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| InChIKey |
ZBQSLBUYMUASJV-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