General Information of the Compound
| Compound ID |
CP0375138
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| Compound Name |
4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl]amino}ethyl)-3-isobutyl-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1
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| InChI |
InChI=1S/C26H31N3O3/c1-17(2)13-22-14-20(7-9-23(22)26(31)32)19-5-3-18(4-6-19)11-12-28-16-24(30)21-8-10-25(27)29-15-21/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/t24-/m0/s1
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| InChIKey |
NCHDMAKDMUDOFA-DEOSSOPVSA-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
Protein ID: PT06057, Beta-3 adrenergic receptor