General Information of the Compound
| Compound ID |
CP0292380
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| Compound Name |
(3-ethyl-2,8-dimethylquinolin-4-yl)-[4-(4-methyl-[1,4]diazepan-1-yl)phenyl]amine
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| Structure |
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| Formula |
C25H32N4
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| Molecular Weight |
388.559
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| Canonical SMILES |
CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1
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| InChI |
InChI=1S/C25H32N4/c1-5-22-19(3)26-24-18(2)8-6-9-23(24)25(22)27-20-10-12-21(13-11-20)29-15-7-14-28(4)16-17-29/h6,8-13H,5,7,14-17H2,1-4H3,(H,26,27)
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| InChIKey |
HWDFFRKTRBIVTK-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