General Information of the Compound
| Compound ID |
CP0545377
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C19H24N4O5S
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| Molecular Weight |
420.491
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(CO)n[nH]c2c1
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| InChI |
InChI=1S/C19H24N4O5S/c1-29(26,27)23-14-4-2-3-13(9-14)19(25)11-20-7-8-28-15-5-6-16-17(10-15)21-22-18(16)12-24/h2-6,9-10,19-20,23-25H,7-8,11-12H2,1H3,(H,21,22)/t19-/m0/s1
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| InChIKey |
GORSCQUEQDKPEB-IBGZPJMESA-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