General Information of the Compound
| Compound ID |
CP0580071
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| Compound Name |
(1S)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(heptylamino)ethanol
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| Structure |
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| Formula |
C20H24F6N2O
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| Molecular Weight |
422.413
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| Canonical SMILES |
CCCCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H24F6N2O/c1-2-3-4-5-6-10-27-12-16(29)14-11-17(20(24,25)26)28-18-13(14)8-7-9-15(18)19(21,22)23/h7-9,11,16,27,29H,2-6,10,12H2,1H3/t16-/m1/s1
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| InChIKey |
VAZHAININDSLSH-MRXNPFEDSA-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