General Information of the Compound
| Compound ID |
CP0903822
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| Compound Name |
5-(Aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic Acid Dihydrochloride
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| Structure |
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| Formula |
C19H26Cl2N2O2
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| Molecular Weight |
385.335
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| Canonical SMILES |
CCCCc1nc(C)c(C(=O)O)c(-c2ccc(C)cc2)c1CN.Cl.Cl
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| InChI |
InChI=1S/C19H24N2O2.2ClH/c1-4-5-6-16-15(11-20)18(14-9-7-12(2)8-10-14)17(19(22)23)13(3)21-16;;/h7-10H,4-6,11,20H2,1-3H3,(H,22,23);2*1H
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| InChIKey |
MSCBXALZPYLGOC-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