General Information of the Compound
| Compound ID |
CP0382040
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| Compound Name |
5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)butan-2-yl]amino]ethyl]benzene-1,3-diol
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| Structure |
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| Formula |
C19H25NO4
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| Molecular Weight |
331.412
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| Canonical SMILES |
CC[C@@H](Cc1ccc(OC)cc1)NC[C@H](O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C19H25NO4/c1-3-15(8-13-4-6-18(24-2)7-5-13)20-12-19(23)14-9-16(21)11-17(22)10-14/h4-7,9-11,15,19-23H,3,8,12H2,1-2H3/t15-,19-/m0/s1
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| InChIKey |
SOKRLRQAAJDAGB-KXBFYZLASA-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