General Information of the Compound
| Compound ID |
CP0862493
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| Compound Name |
(S)-2-[((2-(2-methoxy-4-phenylphenoxy)ethyl)amino)methyl]-1,4-benzodioxane hydrochloride
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| Structure |
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| Formula |
C24H26ClNO4
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| Molecular Weight |
427.928
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| Canonical SMILES |
COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1.Cl
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| InChI |
InChI=1S/C24H25NO4.ClH/c1-26-24-15-19(18-7-3-2-4-8-18)11-12-22(24)27-14-13-25-16-20-17-28-21-9-5-6-10-23(21)29-20;/h2-12,15,20,25H,13-14,16-17H2,1H3;1H/t20-;/m0./s1
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| InChIKey |
ZHJBQCNJMQLLPC-BDQAORGHSA-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor