General Information of the Compound
| Compound ID |
CP0517045
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| Compound Name |
7-[(1R)-2-[2-(3,4-dimethylphenyl)ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C19H22N2O3S
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| Molecular Weight |
358.463
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| Canonical SMILES |
Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C
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| InChI |
InChI=1S/C19H22N2O3S/c1-11-3-4-13(9-12(11)2)7-8-20-10-16(23)14-5-6-15(22)17-18(14)25-19(24)21-17/h3-6,9,16,20,22-23H,7-8,10H2,1-2H3,(H,21,24)/t16-/m0/s1
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| InChIKey |
BHMCEZLZQQHWJW-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
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor