General Information of the Compound
| Compound ID |
CP0870010
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| Compound Name |
{4-[[4-(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-ethyl)phenyl](methyl)-amino]phenoxy}acetic acid hydrochloride
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| Structure |
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| Formula |
C25H28Cl2N2O4
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| Molecular Weight |
491.415
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| Canonical SMILES |
CN(c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)c1ccc(OCC(=O)O)cc1.Cl
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| InChI |
InChI=1S/C25H27ClN2O4.ClH/c1-28(22-9-11-23(12-10-22)32-17-25(30)31)21-7-5-18(6-8-21)13-14-27-16-24(29)19-3-2-4-20(26)15-19;/h2-12,15,24,27,29H,13-14,16-17H2,1H3,(H,30,31);1H/t24-;/m0./s1
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| InChIKey |
UGIALUMPFZJXAO-JIDHJSLPSA-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