General Information of the Compound
| Compound ID |
CP0382238
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| Compound Name |
3-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C20H25ClN2O3
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| Molecular Weight |
376.884
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| Canonical SMILES |
C[C@H](CNc1ccc(CCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H25ClN2O3/c1-14(22-13-19(24)16-3-2-4-17(21)11-16)12-23-18-8-5-15(6-9-18)7-10-20(25)26/h2-6,8-9,11,14,19,22-24H,7,10,12-13H2,1H3,(H,25,26)/t14-,19+/m1/s1
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| InChIKey |
PBYLYDVMGVRMLG-KUHUBIRLSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor