General Information of the Compound
| Compound ID |
CP0576022
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| Compound Name |
2-(4-amino-3-nitrophenyl)-2-(tert-butylamino)ethanol;hydrochloride
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| Structure |
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| Formula |
C12H20ClN3O3
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| Molecular Weight |
289.763
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| Canonical SMILES |
Cl.CC(C)(C)NC(CO)c1ccc(N)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C12H19N3O3.ClH/c1-12(2,3)14-10(7-16)8-4-5-9(13)11(6-8)15(17)18;/h4-6,10,14,16H,7,13H2,1-3H3;1H
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| InChIKey |
RBXGHVSDXGUFNC-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