General Information of the Compound
Compound ID |
CP0490790
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Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]thiophene-2-sulfonamide
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Structure |
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Formula |
C22H23N3O3S2
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Molecular Weight |
441.578
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Canonical SMILES |
O[C@@H](CNCCc1c[nH]c2ccccc12)c1cccc(NS(=O)(=O)c2cccs2)c1
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InChI |
InChI=1S/C22H23N3O3S2/c26-21(15-23-11-10-17-14-24-20-8-2-1-7-19(17)20)16-5-3-6-18(13-16)25-30(27,28)22-9-4-12-29-22/h1-9,12-14,21,23-26H,10-11,15H2/t21-/m0/s1
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InChIKey |
PAWRUZKOVGUVPG-NRFANRHFSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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