General Information of the Compound
| Compound ID |
CP0943915
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| Compound Name |
1-(3-(4-(tert-Butyl)phenoxy)propyl)-4-(pyridin-2-yl)piperazine
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| Structure |
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| Formula |
C22H31N3O
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| Molecular Weight |
353.51
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| Canonical SMILES |
CC(C)(C)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1
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| InChI |
InChI=1S/C22H31N3O/c1-22(2,3)19-8-10-20(11-9-19)26-18-6-13-24-14-16-25(17-15-24)21-7-4-5-12-23-21/h4-5,7-12H,6,13-18H2,1-3H3
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| InChIKey |
IAUROXDHXLNNCP-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