General Information of the Compound
| Compound ID |
CP0394134
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| Compound Name |
(R)-(-)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-benzenediol
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| Structure |
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| Formula |
C16H19NO3
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| Molecular Weight |
273.332
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| Canonical SMILES |
O[C@@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m0/s1
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| InChIKey |
IQFFDUZWXIAVOU-INIZCTEOSA-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