General Information of the Compound
| Compound ID |
CP0471180
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| Compound Name |
5-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C21H20ClNO3S
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| Molecular Weight |
401.915
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(cc1)-c1ccc(s1)C(O)=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H20ClNO3S/c22-17-3-1-2-16(12-17)18(24)13-23-11-10-14-4-6-15(7-5-14)19-8-9-20(27-19)21(25)26/h1-9,12,18,23-24H,10-11,13H2,(H,25,26)/t18-/m0/s1
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| InChIKey |
CHSPXANSXHDQCC-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: PT01493, Beta-3 adrenergic receptor