General Information of the Compound
| Compound ID |
CP0242660
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| Compound Name |
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C20H28ClN3O6S
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| Molecular Weight |
473.979
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| Canonical SMILES |
Cl.NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OCC(O)CNCCO)cc2)cc1
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| InChI |
InChI=1S/C20H27N3O6S.ClH/c21-30(27,28)19-7-1-15(2-8-19)9-10-23-20(26)16-3-5-18(6-4-16)29-14-17(25)13-22-11-12-24;/h1-8,17,22,24-25H,9-14H2,(H,23,26)(H2,21,27,28);1H
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| InChIKey |
DMCFXJFPALOEIP-UHFFFAOYSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor