General Information of the Compound
| Compound ID |
CP0944167
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| Compound Name |
4-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-quinolin-6-yl]butanoic acid Dihydrochloride
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| Structure |
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| Formula |
C25H32Cl2N2O2
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| Molecular Weight |
463.449
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| Canonical SMILES |
Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(CCCC(=O)O)cc23)cc1.Cl.Cl
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| InChI |
InChI=1S/C25H30N2O2.2ClH/c1-16(2)13-23-21(15-26)25(19-10-7-17(3)8-11-19)20-14-18(5-4-6-24(28)29)9-12-22(20)27-23;;/h7-12,14,16H,4-6,13,15,26H2,1-3H3,(H,28,29);2*1H
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| InChIKey |
BHTLMUGTALKGBA-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