General Information of the Compound
| Compound ID |
CP0374594
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| Compound Name |
5-[[4-(aminomethyl)phenyl]methyl]-3-pentylquinolin-2-amine
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| Structure |
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| Formula |
C22H27N3
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| Molecular Weight |
333.479
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| Canonical SMILES |
CCCCCc1cc2c(Cc3ccc(CN)cc3)cccc2nc1N
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| InChI |
InChI=1S/C22H27N3/c1-2-3-4-6-19-14-20-18(7-5-8-21(20)25-22(19)24)13-16-9-11-17(15-23)12-10-16/h5,7-12,14H,2-4,6,13,15,23H2,1H3,(H2,24,25)
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| InChIKey |
SHIHKGXLLWSXOB-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