General Information of the Compound
| Compound ID |
CP0941699
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| Compound Name |
2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]-N-[3-(methylsulfinyl)phenyl]acetamidedi hydrochloride
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| Structure |
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| Formula |
C27H34ClN3O2S
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| Molecular Weight |
500.108
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| Canonical SMILES |
Cc1ccc(-c2c(CC(=O)Nc3cccc([S+](C)[O-])c3)c(C)nc(CC(C)C)c2CN)cc1.Cl
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| InChI |
InChI=1S/C27H33N3O2S.ClH/c1-17(2)13-25-24(16-28)27(20-11-9-18(3)10-12-20)23(19(4)29-25)15-26(31)30-21-7-6-8-22(14-21)33(5)32;/h6-12,14,17H,13,15-16,28H2,1-5H3,(H,30,31);1H
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| InChIKey |
AOQDDFFZSMAAEH-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