General Information of the Compound
| Compound ID |
CP0063008
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| Compound Name |
4-[3-(benzylamino)-2-hydroxypropoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C25H30ClN3O5S
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| Molecular Weight |
520.051
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| Canonical SMILES |
Cl.NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OCC(O)CNCc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C25H29N3O5S.ClH/c26-34(31,32)24-12-6-19(7-13-24)14-15-28-25(30)21-8-10-23(11-9-21)33-18-22(29)17-27-16-20-4-2-1-3-5-20;/h1-13,22,27,29H,14-18H2,(H,28,30)(H2,26,31,32);1H
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| InChIKey |
PBKZJLTUSAXOPY-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