General Information of the Compound
| Compound ID |
CP0505800
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| Compound Name |
1-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-3-methylurea
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| Structure |
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| Formula |
C23H27N5O4S
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| Molecular Weight |
469.567
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| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C23H27N5O4S/c1-24-23(30)27-19-8-10-21(11-9-19)33(31,32)28-20-6-4-17(5-7-20)12-14-26-16-22(29)18-3-2-13-25-15-18/h2-11,13,15,22,26,28-29H,12,14,16H2,1H3,(H2,24,27,30)/t22-/m0/s1
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| InChIKey |
GAOIKELCZZPSSG-QFIPXVFZSA-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