General Information of the Compound
| Compound ID |
CP0463313
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| Compound Name |
4-hydroxy-7-[(1R)-1-hydroxy-2-[[(1R,2R)-2-(2-methylphenyl)cyclopentyl]amino]ethyl]-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C21H24N2O3S
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| Molecular Weight |
384.501
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| Canonical SMILES |
Cc1ccccc1[C@H]1CCC[C@H]1NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
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| InChI |
InChI=1S/C21H24N2O3S/c1-12-5-2-3-6-13(12)14-7-4-8-16(14)22-11-18(25)15-9-10-17(24)19-20(15)27-21(26)23-19/h2-3,5-6,9-10,14,16,18,22,24-25H,4,7-8,11H2,1H3,(H,23,26)/t14-,16-,18+/m1/s1
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| InChIKey |
JMWPNBKHGFORBT-KYJSFNMBSA-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