General Information of the Compound
| Compound ID |
CP0329389
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| Compound Name |
N-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2-methyl-3-phenylquinolin-4-amine
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| Structure |
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| Formula |
C28H30N4
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| Molecular Weight |
422.576
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| Canonical SMILES |
CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C28H30N4/c1-20-19-32(18-17-31(20)3)24-15-13-23(14-16-24)30-28-25-11-7-8-12-26(25)29-21(2)27(28)22-9-5-4-6-10-22/h4-16,20H,17-19H2,1-3H3,(H,29,30)
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| InChIKey |
IJXRJXMYHWPNMW-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