General Information of the Compound
| Compound ID |
CP0135421
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| Compound Name |
(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzoylamino)-acetic acid
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| Structure |
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| Formula |
C23H30N4O7S
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| Molecular Weight |
506.581
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O
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| InChI |
InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/t21-/m0/s1
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| InChIKey |
LSFBOYIJGPJWMG-NRFANRHFSA-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