General Information of the Compound
| Compound ID |
CP0949327
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| Compound Name |
1-(4-(4-(tert-pentyl)phenoxy)butyl)-4-(pyridin-3-yl)piperazine
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| Structure |
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| Formula |
C24H35N3O
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| Molecular Weight |
381.564
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| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCCN2CCN(c3cccnc3)CC2)cc1
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| InChI |
InChI=1S/C24H35N3O/c1-4-24(2,3)21-9-11-23(12-10-21)28-19-6-5-14-26-15-17-27(18-16-26)22-8-7-13-25-20-22/h7-13,20H,4-6,14-19H2,1-3H3
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| InChIKey |
FJKDSAMSRMUCBY-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