General Information of the Compound
| Compound ID |
CP0953939
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| Compound Name |
N-methyl-N'-methyl-N'-(5-(3-trifluoromethylphenyl)-furan-2-yl-methyl)ethylenediamine hydrochloride
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| Structure |
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| Formula |
C16H20ClF3N2O
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| Molecular Weight |
348.796
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| Canonical SMILES |
CNCCN(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)o1.Cl
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| InChI |
InChI=1S/C16H19F3N2O.ClH/c1-20-8-9-21(2)11-14-6-7-15(22-14)12-4-3-5-13(10-12)16(17,18)19;/h3-7,10,20H,8-9,11H2,1-2H3;1H
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| InChIKey |
UMIUEVMMTWIGKQ-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