General Information of the Compound
| Compound ID |
CP0946477
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(3-methylpyridin-4-yl)methyl]-1,3-thiazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C21H25Cl3N6OS
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| Molecular Weight |
515.898
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| Canonical SMILES |
Cc1cnccc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1.Cl.Cl.Cl
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| InChI |
InChI=1S/C21H22N6OS.3ClH/c1-14-10-22-8-6-15(14)11-24-21(28)18-13-29-20(27-18)7-9-23-12-19-25-16-4-2-3-5-17(16)26-19;;;/h2-6,8,10,13,23H,7,9,11-12H2,1H3,(H,24,28)(H,25,26);3*1H
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| InChIKey |
VTHDMZORTAWWQZ-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
Protein ID: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1