General Information of the Compound
| Compound ID |
CP0464884
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]propane-2-sulfonamide
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| Structure |
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| Formula |
C21H28N4O4S
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| Molecular Weight |
432.546
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| Canonical SMILES |
CC(C)S(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(C)n[nH]c2c1
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| InChI |
InChI=1S/C21H28N4O4S/c1-14(2)30(27,28)25-17-6-4-5-16(11-17)21(26)13-22-9-10-29-18-7-8-19-15(3)23-24-20(19)12-18/h4-8,11-12,14,21-22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t21-/m0/s1
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| InChIKey |
LCQNQUYAQZJSKH-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor