General Information of the Compound
| Compound ID |
CP0382024
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| Compound Name |
5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-hydroxyphenyl)butan-2-yl]amino]ethyl]benzene-1,3-diol
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| Structure |
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| Formula |
C18H23NO4
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| Molecular Weight |
317.385
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| Canonical SMILES |
CC[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18-/m0/s1
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| InChIKey |
KFRXJKMLZFERKO-KSSFIOAISA-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