General Information of the Compound
| Compound ID |
CP0444628
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| Compound Name |
4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]amino}ethyl)-3-isobutyl-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C28H33NO3
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| Molecular Weight |
431.576
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| Canonical SMILES |
CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H33NO3/c1-19(2)17-25-18-24(13-14-26(25)28(31)32)22-11-9-21(10-12-22)15-16-29-20(3)27(30)23-7-5-4-6-8-23/h4-14,18-20,27,29-30H,15-17H2,1-3H3,(H,31,32)/t20-,27-/m0/s1
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| InChIKey |
NIITYICIHYXXSW-DCFHFQCYSA-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