General Information of the Compound
| Compound ID |
CP0901948
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| Compound Name |
2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]-N-[3-(methylsulfonyl)phenyl]acetamide dihydrochloride
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| Structure |
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| Formula |
C27H35Cl2N3O3S
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| Molecular Weight |
552.568
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| Canonical SMILES |
Cc1ccc(-c2c(CC(=O)Nc3cccc(S(C)(=O)=O)c3)c(C)nc(CC(C)C)c2CN)cc1.Cl.Cl
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| InChI |
InChI=1S/C27H33N3O3S.2ClH/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)34(5,32)33;;/h6-12,14,17H,13,15-16,28H2,1-5H3,(H,30,31);2*1H
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| InChIKey |
NRIMBFSKNLPOFD-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