General Information of the Compound
| Compound ID |
CP0441818
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| Compound Name |
1-[4-[[3-[3-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]phenyl]sulfamoyl]phenyl]-3-hexylurea
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| Structure |
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| Formula |
C35H40N4O5S
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| Molecular Weight |
628.795
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1cccc(CC2NCCc3cc(O)c(O)cc23)c1
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| InChI |
InChI=1S/C35H40N4O5S/c1-2-3-4-5-17-37-35(42)38-28-12-14-30(15-13-28)45(43,44)39-29-11-7-10-26(21-29)25-9-6-8-24(19-25)20-32-31-23-34(41)33(40)22-27(31)16-18-36-32/h6-15,19,21-23,32,36,39-41H,2-5,16-18,20H2,1H3,(H2,37,38,42)
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| InChIKey |
DHZKKUFSEKSPHA-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