General Information of the Compound
| Compound ID |
CP0113434
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| Compound Name |
(3-isopropyl-2-methylquinolin-4-yl)-[4-(4-methylpiperazin-1-yl)phenyl]amine
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| Structure |
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| Formula |
C24H30N4
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| Molecular Weight |
374.532
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| Canonical SMILES |
CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C24H30N4/c1-17(2)23-18(3)25-22-8-6-5-7-21(22)24(23)26-19-9-11-20(12-10-19)28-15-13-27(4)14-16-28/h5-12,17H,13-16H2,1-4H3,(H,25,26)
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| InChIKey |
JLIOUCZCOQHOPO-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