General Information of the Compound
| Compound ID |
CP0426736
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| Compound Name |
5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)-3-methylbutan-2-yl]amino]ethyl]benzene-1,3-diol
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| Structure |
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| Formula |
C20H27NO4
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| Molecular Weight |
345.439
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| Canonical SMILES |
COc1ccc(C[C@H](NC[C@H](O)c2cc(O)cc(O)c2)C(C)C)cc1
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| InChI |
InChI=1S/C20H27NO4/c1-13(2)19(8-14-4-6-18(25-3)7-5-14)21-12-20(24)15-9-16(22)11-17(23)10-15/h4-7,9-11,13,19-24H,8,12H2,1-3H3/t19-,20-/m0/s1
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| InChIKey |
OMZCOLVELYGEEE-PMACEKPBSA-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