General Information of the Compound
| Compound ID |
CP0039165
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| Compound Name |
(S)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
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| Structure |
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| Formula |
C19H21ClN2O
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| Molecular Weight |
328.843
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| Canonical SMILES |
C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3/t13-,19-/m1/s1
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| InChIKey |
AGWBMRMDTWHPJM-BFUOFWGJSA-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: PT01493, Beta-3 adrenergic receptor