General Information of the Compound
| Compound ID |
CP0443771
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| Compound Name |
N'-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-methylethane-1,2-diamine;dihydrochloride
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| Structure |
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| Formula |
C16H20Cl2F2N2O
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| Molecular Weight |
365.251
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| Canonical SMILES |
Cl.Cl.CNCCNCc1ccc(Oc2ccccc2F)c(F)c1
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| InChI |
InChI=1S/C16H18F2N2O.2ClH/c1-19-8-9-20-11-12-6-7-16(14(18)10-12)21-15-5-3-2-4-13(15)17;;/h2-7,10,19-20H,8-9,11H2,1H3;2*1H
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| InChIKey |
ROCIZENUNQSWGA-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