General Information of the Compound
| Compound ID |
CP0389372
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| Compound Name |
4-[[4-(aminomethyl)phenyl]methyl]-3-pentylquinolin-2-amine;hydrochloride
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| Structure |
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| Formula |
C22H28ClN3
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| Molecular Weight |
369.94
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| Canonical SMILES |
Cl.CCCCCc1c(N)nc2ccccc2c1Cc1ccc(CN)cc1
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| InChI |
InChI=1S/C22H27N3.ClH/c1-2-3-4-8-19-20(14-16-10-12-17(15-23)13-11-16)18-7-5-6-9-21(18)25-22(19)24;/h5-7,9-13H,2-4,8,14-15,23H2,1H3,(H2,24,25);1H
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| InChIKey |
LWRYTTHDSMYFRZ-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