General Information of the Compound
| Compound ID |
CP0399122
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| Compound Name |
(R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)-3-(cyclohexyloxy)biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C29H32ClNO4
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| Molecular Weight |
494.031
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/h4-6,9-14,17-18,25,27,31-32H,1-3,7-8,15-16,19H2,(H,33,34)/t27-/m0/s1
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| InChIKey |
RWAABJPWMZNDQM-MHZLTWQESA-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