General Information of the Compound
| Compound ID |
CP0225140
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| Compound Name |
N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-6-fluoro-2,3-dimethylquinolin-4-amine
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| Structure |
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| Formula |
C23H27FN4
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| Molecular Weight |
378.495
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| Canonical SMILES |
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1
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| InChI |
InChI=1S/C23H27FN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-10-5-18(24)13-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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| InChIKey |
OGGREUDUNWRXNK-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