General Information of the Compound
| Compound ID |
CP0371288
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| Compound Name |
[2-methyl-4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol
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| Structure |
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| Formula |
C24H30N4O
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| Molecular Weight |
390.531
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| Canonical SMILES |
CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
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| InChI |
InChI=1S/C24H30N4O/c1-17-21(15-29)23(20-7-5-6-8-22(20)25-17)26-18-9-11-19(12-10-18)28-14-13-27(4)24(2,3)16-28/h5-12,29H,13-16H2,1-4H3,(H,25,26)
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| InChIKey |
AANVRTGJCGRJSR-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