General Information of the Compound
| Compound ID |
CP0411419
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| Compound Name |
5-[(1R)-1-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol
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| Structure |
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| Formula |
C17H21NO4
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| Molecular Weight |
303.358
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| Canonical SMILES |
COc1ccc(CCNC[C@H](O)c2cc(O)cc(O)c2)cc1
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| InChI |
InChI=1S/C17H21NO4/c1-22-16-4-2-12(3-5-16)6-7-18-11-17(21)13-8-14(19)10-15(20)9-13/h2-5,8-10,17-21H,6-7,11H2,1H3/t17-/m0/s1
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| InChIKey |
CCADMOBPNSAPBP-KRWDZBQOSA-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