General Information of the Compound
| Compound ID |
CP0405158
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| Compound Name |
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-methoxy-6-phenylphenoxy)ethanamine;hydrochloride
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| Structure |
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| Formula |
C24H25NO4
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| Molecular Weight |
391.467
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| Canonical SMILES |
COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1
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| InChI |
InChI=1S/C24H25NO4.ClH/c1-26-23-13-7-10-20(18-8-3-2-4-9-18)24(23)27-15-14-25-16-19-17-28-21-11-5-6-12-22(21)29-19;/h2-13,19,25H,14-17H2,1H3;1H/t19-;/m1./s1
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| InChIKey |
AFUDWLGGLABPSJ-FSRHSHDFSA-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