General Information of the Compound
| Compound ID |
CP0513607
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| Compound Name |
6-Azepan-1-ylmethyl-2-(4-phenyl-butyl)-1,2,3,4-tetrahydro-isoquinolin-5-ol
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| Structure |
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| Formula |
C26H36N2O
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| Molecular Weight |
392.587
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| Canonical SMILES |
Oc1c(CN2CCCCCC2)ccc2CN(CCCCc3ccccc3)CCc12
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| InChI |
InChI=1S/C26H36N2O/c29-26-24(21-27-16-7-1-2-8-17-27)14-13-23-20-28(19-15-25(23)26)18-9-6-12-22-10-4-3-5-11-22/h3-5,10-11,13-14,29H,1-2,6-9,12,15-21H2
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| InChIKey |
PKXQAXLRYCUFOX-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