General Information of the Compound
| Compound ID |
CP0433202
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| Compound Name |
N-[3-[(1R)-2-[2-[(3-tert-butyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C22H30N4O4S
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| Molecular Weight |
446.573
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| Canonical SMILES |
CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
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| InChI |
InChI=1S/C22H30N4O4S/c1-22(2,3)21-18-9-8-17(13-19(18)24-25-21)30-11-10-23-14-20(27)15-6-5-7-16(12-15)26-31(4,28)29/h5-9,12-13,20,23,26-27H,10-11,14H2,1-4H3,(H,24,25)/t20-/m0/s1
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| InChIKey |
UXUBZHCLIWMLLZ-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: PT01493, Beta-3 adrenergic receptor