General Information of the Compound
| Compound ID |
CP0433203
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-[[3-(trifluoromethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C19H21F3N4O4S
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| Molecular Weight |
458.462
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N4O4S/c1-31(28,29)26-13-4-2-3-12(9-13)17(27)11-23-7-8-30-14-5-6-15-16(10-14)24-25-18(15)19(20,21)22/h2-6,9-10,17,23,26-27H,7-8,11H2,1H3,(H,24,25)/t17-/m0/s1
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| InChIKey |
YVTXEXNEHZPROY-KRWDZBQOSA-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