General Information of the Compound
| Compound ID |
CP0382117
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-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 |
COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
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| InChI |
InChI=1S/C19H24N4O5S/c1-27-19-16-7-6-15(11-17(16)21-22-19)28-9-8-20-12-18(24)13-4-3-5-14(10-13)23-29(2,25)26/h3-7,10-11,18,20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t18-/m0/s1
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| InChIKey |
WTCHZYIFRBIPOB-SFHVURJKSA-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