General Information of the Compound
| Compound ID |
CP0382115
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| Compound Name |
N-[3-[(1R)-2-[2-[(3-ethyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C20H26N4O4S
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| Molecular Weight |
418.519
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| Canonical SMILES |
CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
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| InChI |
InChI=1S/C20H26N4O4S/c1-3-18-17-8-7-16(12-19(17)23-22-18)28-10-9-21-13-20(25)14-5-4-6-15(11-14)24-29(2,26)27/h4-8,11-12,20-21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/t20-/m0/s1
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| InChIKey |
MBJXNRMFNNYLBI-FQEVSTJZSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor