General Information of the Compound
| Compound ID |
CP0534264
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| Compound Name |
6-Azepan-1-ylmethyl-isoquinolin-5-ol
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| Structure |
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| Formula |
C16H20N2O
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| Molecular Weight |
256.349
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| Canonical SMILES |
Oc1c(CN2CCCCCC2)ccc2cnccc12
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| InChI |
InChI=1S/C16H20N2O/c19-16-14(12-18-9-3-1-2-4-10-18)6-5-13-11-17-8-7-15(13)16/h5-8,11,19H,1-4,9-10,12H2
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| InChIKey |
WENAKUUUVPKYET-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