General Information of the Compound
| Compound ID |
CP0453193
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| Compound Name |
1-[4-[[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]sulfamoyl]phenyl]-3-hexylurea
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| Structure |
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| Formula |
C29H36N4O5S
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| Molecular Weight |
552.697
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
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| InChI |
InChI=1S/C29H36N4O5S/c1-2-3-4-5-15-31-29(36)32-22-10-12-24(13-11-22)39(37,38)33-23-8-6-20(7-9-23)17-26-25-19-28(35)27(34)18-21(25)14-16-30-26/h6-13,18-19,26,30,33-35H,2-5,14-17H2,1H3,(H2,31,32,36)
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| InChIKey |
YSNYDDHHZGWFBH-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