General Information of the Compound
| Compound ID |
CP0425408
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| Compound Name |
1-N-[2-(diethylamino)ethyl]-4-N-(3-ethyl-2,8-dimethylquinolin-4-yl)benzene-1,4-diamine
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| Structure |
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| Formula |
C25H34N4
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| Molecular Weight |
390.575
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| Canonical SMILES |
CCN(CC)CCNc1ccc(Nc2c(CC)c(C)nc3c(C)cccc23)cc1
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| InChI |
InChI=1S/C25H34N4/c1-6-22-19(5)27-24-18(4)10-9-11-23(24)25(22)28-21-14-12-20(13-15-21)26-16-17-29(7-2)8-3/h9-15,26H,6-8,16-17H2,1-5H3,(H,27,28)
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| InChIKey |
VWHNYSUZLOHFTG-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor