General Information of the Compound
| Compound ID |
CP0298242
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| Compound Name |
4-N-(2,3-dimethylquinolin-4-yl)-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-diamine
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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 |
Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C
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| InChI |
InChI=1S/C23H28N4/c1-17-18(2)25-22-8-4-3-7-21(22)23(17)26-20-11-9-19(10-12-20)24-13-16-27-14-5-6-15-27/h3-4,7-12,24H,5-6,13-16H2,1-2H3,(H,25,26)
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| InChIKey |
QBONYGHVEVRMDD-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