General Information of the Compound
| Compound ID |
CP0481422
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| Compound Name |
(R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)-2-methylbenzoic acid
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| Structure |
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| Formula |
C24H24ClNO4
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| Molecular Weight |
425.912
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| Canonical SMILES |
Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O
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| InChI |
InChI=1S/C24H24ClNO4/c1-16-8-9-21(14-22(16)24(28)29)30-20-7-2-4-17(12-20)10-11-26-15-23(27)18-5-3-6-19(25)13-18/h2-9,12-14,23,26-27H,10-11,15H2,1H3,(H,28,29)/t23-/m0/s1
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| InChIKey |
YMFJEEDRPNEAGN-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