General Information of the Compound
| Compound ID |
CP0509151
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| Compound Name |
6-Azepan-1-ylmethyl-2-methyl-1,2,3,4-tetrahydro-isoquinolin-5-ol
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| Structure |
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| Formula |
C17H26N2O
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| Molecular Weight |
274.408
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| Canonical SMILES |
CN1CCc2c(C1)ccc(CN1CCCCCC1)c2O
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| InChI |
InChI=1S/C17H26N2O/c1-18-11-8-16-14(12-18)6-7-15(17(16)20)13-19-9-4-2-3-5-10-19/h6-7,20H,2-5,8-13H2,1H3
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| InChIKey |
CGYFYYARKSNEGH-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