General Information of the Compound
| Compound ID |
CP0498018
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| Compound Name |
3-(Cyclohexyloxy)-4-((2R)-2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}propyl)-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
C[C@H](Cc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)NC[C@H](O)c1cccnc1
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| InChI |
InChI=1S/C29H34N2O4/c1-20(31-19-27(32)24-6-5-15-30-18-24)16-21-9-11-22(12-10-21)23-13-14-26(29(33)34)28(17-23)35-25-7-3-2-4-8-25/h5-6,9-15,17-18,20,25,27,31-32H,2-4,7-8,16,19H2,1H3,(H,33,34)/t20-,27+/m1/s1
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| InChIKey |
KMEMWHYMNSWFJN-HRFSGMKKSA-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