General Information of the Compound
| Compound ID |
CP0187238
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| Compound Name |
7-((R)-2-((1S,2S)-2-(benzyloxy)cyclopentylamino)-1-hydroxyethyl)-4-hydroxybenzo[d]thiazol-2(3H)-one
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| Structure |
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| Formula |
C21H24N2O4S
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| Molecular Weight |
400.5
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17-,18-/m0/s1
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| InChIKey |
QTWVYUJFBIVOHT-SZMVWBNQSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor