General Information of the Compound
| Compound ID |
CP0424821
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| Compound Name |
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-methylbenzoic acid
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| Structure |
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| Formula |
C24H24ClNO3
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| Molecular Weight |
409.913
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| Canonical SMILES |
Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C24H24ClNO3/c1-16-13-19(9-10-22(16)24(28)29)18-7-5-17(6-8-18)11-12-26-15-23(27)20-3-2-4-21(25)14-20/h2-10,13-14,23,26-27H,11-12,15H2,1H3,(H,28,29)/t23-/m0/s1
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| InChIKey |
HZKRWCFFQJZYJJ-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