General Information of the Compound
| Compound ID |
CP0941700
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| Compound Name |
2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]-N-methylacetamide dihydrochloride
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| Structure |
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| Formula |
C21H31Cl2N3O
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| Molecular Weight |
412.405
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| Canonical SMILES |
CNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1.Cl.Cl
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| InChI |
InChI=1S/C21H29N3O.2ClH/c1-13(2)10-19-18(12-22)21(16-8-6-14(3)7-9-16)17(15(4)24-19)11-20(25)23-5;;/h6-9,13H,10-12,22H2,1-5H3,(H,23,25);2*1H
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| InChIKey |
LWBQJAYWNMCRCP-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