General Information of the Compound
| Compound ID |
CP0399931
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| Compound Name |
1-[4-[[6-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]naphthalen-2-yl]sulfamoyl]phenyl]-3-hexylurea
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| Structure |
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| Formula |
C33H38N4O6S
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| Molecular Weight |
618.756
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2cc(OCC3NCCc4cc(O)c(O)cc34)ccc2c1
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| InChI |
InChI=1S/C33H38N4O6S/c1-2-3-4-5-15-35-33(40)36-25-9-12-28(13-10-25)44(41,42)37-26-8-6-23-18-27(11-7-22(23)17-26)43-21-30-29-20-32(39)31(38)19-24(29)14-16-34-30/h6-13,17-20,30,34,37-39H,2-5,14-16,21H2,1H3,(H2,35,36,40)
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| InChIKey |
GDXZPGVRXBBEKQ-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