General Information of the Compound
| Compound ID |
CP0063009
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| Compound Name |
4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C22H32ClN3O5S
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| Molecular Weight |
486.034
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| Canonical SMILES |
Cl.CCC(C)NCC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C22H31N3O5S.ClH/c1-3-16(2)25-14-19(26)15-30-20-8-6-18(7-9-20)22(27)24-13-12-17-4-10-21(11-5-17)31(23,28)29;/h4-11,16,19,25-26H,3,12-15H2,1-2H3,(H,24,27)(H2,23,28,29);1H
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| InChIKey |
HCFVUMHBJGFRDI-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