General Information of the Compound
| Compound ID |
CP0371284
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| Compound Name |
(2-methyl-3-phenylquinolin-4-yl)-[4-(4-methylpiperazin-1-yl)-phenyl]amine
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| Structure |
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| Formula |
C27H28N4
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| Molecular Weight |
408.549
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H28N4/c1-20-26(21-8-4-3-5-9-21)27(24-10-6-7-11-25(24)28-20)29-22-12-14-23(15-13-22)31-18-16-30(2)17-19-31/h3-15H,16-19H2,1-2H3,(H,28,29)
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| InChIKey |
YRMKSXYNMSJIBT-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