General Information of the Compound
| Compound ID |
CP0790291
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| Compound Name |
5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylic Acid Dihydrochloride
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| Structure |
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| Formula |
C18H24Cl2N2O2
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| Molecular Weight |
371.308
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| Canonical SMILES |
CCCc1nc(C)c(C(=O)O)c(-c2ccc(C)cc2)c1CN.Cl.Cl
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| InChI |
InChI=1S/C18H22N2O2.2ClH/c1-4-5-15-14(10-19)17(13-8-6-11(2)7-9-13)16(18(21)22)12(3)20-15;;/h6-9H,4-5,10,19H2,1-3H3,(H,21,22);2*1H
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| InChIKey |
FOZLHJBLKSLQRP-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