General Information of the Compound
| Compound ID |
CP0905656
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3,5-difluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C21H23Cl3F2N6OS
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| Molecular Weight |
551.878
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| Canonical SMILES |
Cl.Cl.Cl.O=C(NCc1ncc(F)cc1F)c1csc(CCNCCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C21H20F2N6OS.3ClH/c22-13-9-14(23)17(25-10-13)11-26-21(30)18-12-31-20(29-18)6-8-24-7-5-19-27-15-3-1-2-4-16(15)28-19;;;/h1-4,9-10,12,24H,5-8,11H2,(H,26,30)(H,27,28);3*1H
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| InChIKey |
COGNMMXAFVJZAD-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