General Information of the Compound
| Compound ID |
CP0494785
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| Compound Name |
4-[(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]-3-propoxy-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C26H29ClN2O4
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| Molecular Weight |
468.981
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| Canonical SMILES |
CCCOc1cc(ccc1C(O)=O)-c1ccc(NCCNC[C@H](O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C26H29ClN2O4/c1-2-14-33-25-16-19(8-11-23(25)26(31)32)18-6-9-22(10-7-18)29-13-12-28-17-24(30)20-4-3-5-21(27)15-20/h3-11,15-16,24,28-30H,2,12-14,17H2,1H3,(H,31,32)/t24-/m0/s1
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| InChIKey |
YGJMTGYXILZWOH-DEOSSOPVSA-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