General Information of the Compound
| Compound ID |
CP0400938
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| Compound Name |
4-((2R)-2-{[(2R)-2-Phenyl-2-hydroxyethyl]amino}propyl)-3-methoxy-1,1-biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C25H27NO4
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| Molecular Weight |
405.494
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| Canonical SMILES |
COc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H27NO4/c1-17(26-16-23(27)20-6-4-3-5-7-20)14-18-8-10-19(11-9-18)21-12-13-22(25(28)29)24(15-21)30-2/h3-13,15,17,23,26-27H,14,16H2,1-2H3,(H,28,29)/t17-,23+/m1/s1
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| InChIKey |
XCPDEXJRTMYUAA-HXOBKFHXSA-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