General Information of the Compound
| Compound ID |
CP0063010
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| Compound Name |
4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C24H36ClN3O5S
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| Molecular Weight |
514.088
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| Canonical SMILES |
Cl.CC(C)N(CC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)C
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| InChI |
InChI=1S/C24H35N3O5S.ClH/c1-17(2)27(18(3)4)15-21(28)16-32-22-9-7-20(8-10-22)24(29)26-14-13-19-5-11-23(12-6-19)33(25,30)31;/h5-12,17-18,21,28H,13-16H2,1-4H3,(H,26,29)(H2,25,30,31);1H
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| InChIKey |
CZBWOOFOUMMMIF-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