General Information of the Compound
| Compound ID |
CP0257508
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| Compound Name |
(3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-1-yl)phenyl]amine
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| Structure |
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| Formula |
C18H24N4
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| Molecular Weight |
296.418
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
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| InChI |
InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
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| InChIKey |
BDODJZYHQXXMMX-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