General Information of the Compound
| Compound ID |
CP0517044
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| Compound Name |
7-[(1R)-2-[2-(4-butoxyphenyl)ethylamino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C21H26N2O4S
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| Molecular Weight |
402.516
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| Canonical SMILES |
CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1
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| InChI |
InChI=1S/C21H26N2O4S/c1-2-3-12-27-15-6-4-14(5-7-15)10-11-22-13-18(25)16-8-9-17(24)19-20(16)28-21(26)23-19/h4-9,18,22,24-25H,2-3,10-13H2,1H3,(H,23,26)/t18-/m0/s1
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| InChIKey |
FUOWDZYYVJJPIW-SFHVURJKSA-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
Protein ID: PT00943, D(3) dopamine receptor