General Information of the Compound
| Compound ID |
CP0471185
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| Compound Name |
2-[4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfanylphenoxy]acetic acid
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| Structure |
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| Formula |
C24H24ClNO4S
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| Molecular Weight |
457.979
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(Sc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C24H24ClNO4S/c25-19-3-1-2-18(14-19)23(27)15-26-13-12-17-4-8-21(9-5-17)31-22-10-6-20(7-11-22)30-16-24(28)29/h1-11,14,23,26-27H,12-13,15-16H2,(H,28,29)/t23-/m0/s1
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| InChIKey |
FVKWZPMZEPDGKS-QHCPKHFHSA-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