General Information of the Compound
| Compound ID |
CP0460199
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| Compound Name |
6-Azepan-1-ylmethyl-2-[4-(4-fluoro-phenyl)-butyl]-1,2,3,4-tetrahydro-isoquinolin-5-ol
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| Structure |
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| Formula |
C26H35FN2O
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| Molecular Weight |
410.577
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| Canonical SMILES |
Oc1c(CN2CCCCCC2)ccc2CN(CCCCc3ccc(F)cc3)CCc12
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| InChI |
InChI=1S/C26H35FN2O/c27-24-12-8-21(9-13-24)7-3-6-17-29-18-14-25-22(19-29)10-11-23(26(25)30)20-28-15-4-1-2-5-16-28/h8-13,30H,1-7,14-20H2
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| InChIKey |
BEWIUPOAXFMUIY-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