General Information of the Compound
| Compound ID |
CP0399133
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| Compound Name |
4-[2-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]ethyl]benzene-1,2-diol
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| Structure |
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| Formula |
C26H31NO4
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| Molecular Weight |
421.537
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| Canonical SMILES |
COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
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| InChI |
InChI=1S/C26H31NO4/c1-30-26-19-22(14-16-27-15-13-21-9-11-23(28)24(29)18-21)10-12-25(26)31-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19,27-29H,5,8,13-17H2,1H3
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| InChIKey |
FNDYKBLJPFQMEN-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: PT06365, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor