General Information of the Compound
| Compound ID |
CP0499227
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| Compound Name |
3-[3-[4-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]phenyl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H39N3O6
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| Molecular Weight |
525.646
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| Canonical SMILES |
OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)-n1c(=O)cc[nH]c1=O
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| InChI |
InChI=1S/C29H39N3O6/c33-21-24-19-23(11-12-26(24)34)27(35)20-30-14-4-1-2-5-16-38-17-6-3-8-22-9-7-10-25(18-22)32-28(36)13-15-31-29(32)37/h7,9-13,15,18-19,27,30,33-35H,1-6,8,14,16-17,20-21H2,(H,31,37)/t27-/m0/s1
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| InChIKey |
SCMBTOKLELJQBE-MHZLTWQESA-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
Protein ID: PT01493, Beta-3 adrenergic receptor