General Information of the Compound
| Compound ID |
CP0412061
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| Compound Name |
(R,S)-(-)-5-{2-[2-(4-aminophenyl)-1-methylethylamino]-1-hydroxyethyl}-1,3-benzenediol
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| Structure |
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| Formula |
C17H21NO3
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| Molecular Weight |
287.359
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| Canonical SMILES |
C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17-/m0/s1
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| InChIKey |
GGCAKMLDJKMBIK-SJCJKPOMSA-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