General Information of the Compound
| Compound ID |
CP0422142
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| Compound Name |
(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzyloxy)-acetic acid
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| Structure |
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| Formula |
C23H31N3O7S
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| Molecular Weight |
493.582
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(COCC(O)=O)cc1
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| InChI |
InChI=1S/C23H31N3O7S/c1-34(31,32)25-20-12-17(4-7-21(20)27)22(28)13-24-18-8-10-26(11-9-18)19-5-2-16(3-6-19)14-33-15-23(29)30/h2-7,12,18,22,24-25,27-28H,8-11,13-15H2,1H3,(H,29,30)/t22-/m0/s1
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| InChIKey |
SDGBOACSFGQGSM-QFIPXVFZSA-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