General Information of the Compound
| Compound ID |
CP0443504
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| Compound Name |
(R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethylamino)ethyl)-3-(cyclohexyloxy)biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1
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| InChI |
InChI=1S/C28H33N3O4/c29-25-13-15-30-17-24(25)26(32)18-31-14-12-19-6-8-20(9-7-19)21-10-11-23(28(33)34)27(16-21)35-22-4-2-1-3-5-22/h6-11,13,15-17,22,26,31-32H,1-5,12,14,18H2,(H2,29,30)(H,33,34)/t26-/m0/s1
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| InChIKey |
BNYJUFJWBMUKOE-SANMLTNESA-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