General Information of the Compound
| Compound ID |
CP0912440
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| Compound Name |
(S)-2-[((2-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl]-8-chloro-1,4-benzodioxane hydrochloride
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| Structure |
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| Formula |
C19H23Cl2NO5
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| Molecular Weight |
416.301
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| Canonical SMILES |
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1.Cl
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| InChI |
InChI=1S/C19H22ClNO5.ClH/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13;/h3-8,13,21H,9-12H2,1-2H3;1H/t13-;/m0./s1
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| InChIKey |
SRZQASDTTLSGGK-ZOWNYOTGSA-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