General Information of the Compound
| Compound ID |
CP0246081
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| Compound Name |
4-[2-hydroxy-3-(propylamino)propoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C21H30ClN3O5S
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| Molecular Weight |
472.007
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| Canonical SMILES |
Cl.CCCNCC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C21H29N3O5S.ClH/c1-2-12-23-14-18(25)15-29-19-7-5-17(6-8-19)21(26)24-13-11-16-3-9-20(10-4-16)30(22,27)28;/h3-10,18,23,25H,2,11-15H2,1H3,(H,24,26)(H2,22,27,28);1H
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| InChIKey |
SKEGMIPRMMELBX-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