General Information of the Compound
| Compound ID |
CP0181020
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| Compound Name |
4-(3-methyltetrahydropyrimidin-1(2H)-yl)phenyl]-(2,3,8-trimethylquinolin-4-yl)amine
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| Structure |
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| Formula |
C23H28N4
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| Molecular Weight |
360.505
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| Canonical SMILES |
CN1CCCN(C1)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
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| InChI |
InChI=1S/C23H28N4/c1-16-7-5-8-21-22(16)24-18(3)17(2)23(21)25-19-9-11-20(12-10-19)27-14-6-13-26(4)15-27/h5,7-12H,6,13-15H2,1-4H3,(H,24,25)
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| InChIKey |
KUMLVCNUFRRWHR-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