General Information of the Compound
| Compound ID |
CP0570406
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| Compound Name |
2-(4-amino-3-bromo-5-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
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| Structure |
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| Formula |
C16H19BrClFN2O2
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| Molecular Weight |
405.695
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| Canonical SMILES |
Cl.COc1ccc(CNC(CO)c2cc(F)c(N)c(Br)c2)cc1
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| InChI |
InChI=1S/C16H18BrFN2O2.ClH/c1-22-12-4-2-10(3-5-12)8-20-15(9-21)11-6-13(17)16(19)14(18)7-11;/h2-7,15,20-21H,8-9,19H2,1H3;1H
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| InChIKey |
KPRKMSGIFMGJCY-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