General Information of the Compound
| Compound ID |
CP0578734
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| Compound Name |
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(pentylamino)ethanol
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| Structure |
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| Formula |
C18H20F6N2O
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| Molecular Weight |
394.359
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| Canonical SMILES |
CCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H20F6N2O/c1-2-3-4-8-25-10-14(27)12-9-15(18(22,23)24)26-16-11(12)6-5-7-13(16)17(19,20)21/h5-7,9,14,25,27H,2-4,8,10H2,1H3/t14-/m0/s1
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| InChIKey |
ZUNMBCXPZDPUJT-AWEZNQCLSA-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