General Information of the Compound
| Compound ID |
CP0648802
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| Compound Name |
1-Methyl-2-(8-trifluoromethyl-benzo[1,2-b;4,5-b']difuran-4-yl)-ethyl-ammonium chloride
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| Structure |
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| Formula |
C14H13ClF3NO2
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| Molecular Weight |
319.71
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| Canonical SMILES |
C[C@@H](N)Cc1c2ccoc2c(C(F)(F)F)c2ccoc12.Cl
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| InChI |
InChI=1S/C14H12F3NO2.ClH/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10;/h2-5,7H,6,18H2,1H3;1H/t7-;/m1./s1
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| InChIKey |
OOIFSTYDVQDIPJ-OGFXRTJISA-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