General Information of the Compound
| Compound ID |
CP0504943
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| Compound Name |
6-Azepan-1-ylmethyl-2-[4,4-bis-(4-fluoro-phenyl)-butyl]-1,2,3,4-tetrahydro-isoquinolin-5-ol
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| Structure |
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| Formula |
C32H38F2N2O
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| Molecular Weight |
504.665
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| Canonical SMILES |
Oc1c(CN2CCCCCC2)ccc2CN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CCc12
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| InChI |
InChI=1S/C32H38F2N2O/c33-28-13-9-24(10-14-28)30(25-11-15-29(34)16-12-25)6-5-20-36-21-17-31-26(22-36)7-8-27(32(31)37)23-35-18-3-1-2-4-19-35/h7-16,30,37H,1-6,17-23H2
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| InChIKey |
OGCRITYNYRWHGG-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