General Information of the Compound
| Compound ID |
CP0905285
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| Compound Name |
3-({[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl}amino)benzamide dihydrochloride
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| Structure |
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| Formula |
C28H35Cl2N3O2
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| Molecular Weight |
516.513
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)Cc2c(C)nc(CC(C)C)c(CN)c2-c2ccc(C)cc2)c1.Cl.Cl
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| InChI |
InChI=1S/C28H33N3O2.2ClH/c1-17(2)13-26-25(16-29)28(21-11-9-18(3)10-12-21)24(19(4)30-26)15-27(33)31-23-8-6-7-22(14-23)20(5)32;;/h6-12,14,17H,13,15-16,29H2,1-5H3,(H,31,33);2*1H
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| InChIKey |
DNDCKVYKCPALIQ-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