General Information of the Compound
| Compound ID |
CP0405175
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| Compound Name |
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(2-methylpropoxy)benzoic acid
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| Structure |
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| Formula |
C27H30ClNO4
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| Molecular Weight |
467.993
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| Canonical SMILES |
CC(C)COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C27H30ClNO4/c1-18(2)17-33-26-15-21(10-11-24(26)27(31)32)20-8-6-19(7-9-20)12-13-29-16-25(30)22-4-3-5-23(28)14-22/h3-11,14-15,18,25,29-30H,12-13,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
DEAAXOIQXULJJB-VWLOTQADSA-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