General Information of the Compound
| Compound ID |
CP0458450
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| Compound Name |
4-(4-aminobutyl)-3-pentylquinolin-2-amine;hydrochloride
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| Structure |
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| Formula |
C18H28ClN3
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| Molecular Weight |
321.896
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| Canonical SMILES |
Cl.CCCCCc1c(N)nc2ccccc2c1CCCCN
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| InChI |
InChI=1S/C18H27N3.ClH/c1-2-3-4-11-16-14(9-7-8-13-19)15-10-5-6-12-17(15)21-18(16)20;/h5-6,10,12H,2-4,7-9,11,13,19H2,1H3,(H2,20,21);1H
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| InChIKey |
DMFZJHVNDICXKE-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