General Information of the Compound
| Compound ID |
CP0933240
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| Compound Name |
(S)-2-[((2-(2-methoxy-5,6,7,8-tetrahydronaphthoxy)ethyl)amino)methyl]-1,4-benzodioxane hydrochloride
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| Structure |
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| Formula |
C22H28ClNO4
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| Molecular Weight |
405.922
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| Canonical SMILES |
COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)CCCC2.Cl
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| InChI |
InChI=1S/C22H27NO4.ClH/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17;/h4-5,8-11,17,23H,2-3,6-7,12-15H2,1H3;1H/t17-;/m0./s1
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| InChIKey |
KGWXTAUOHMLWSB-LMOVPXPDSA-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