General Information of the Compound
| Compound ID |
CP0577936
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| Compound Name |
2-amino-3-bromo-5-[1-(cyclohexylamino)-2-hydroxyethyl]benzonitrile;hydrochloride
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| Structure |
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| Formula |
C15H21BrClN3O
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| Molecular Weight |
374.71
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| Canonical SMILES |
Cl.Nc1c(Br)cc(cc1C#N)C(CO)NC1CCCCC1
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| InChI |
InChI=1S/C15H20BrN3O.ClH/c16-13-7-10(6-11(8-17)15(13)18)14(9-20)19-12-4-2-1-3-5-12;/h6-7,12,14,19-20H,1-5,9,18H2;1H
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| InChIKey |
LCHSUGFHWHGDHI-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