General Information of the Compound
| Compound ID |
CP0903110
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl](methyl)amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide trihydrochloride
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| Structure |
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| Formula |
C22H26Cl3FN6OS
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| Molecular Weight |
547.915
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| Canonical SMILES |
CN(CCc1nc2ccccc2[nH]1)CCc1nc(C(=O)NCc2ncccc2F)cs1.Cl.Cl.Cl
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| InChI |
InChI=1S/C22H23FN6OS.3ClH/c1-29(11-8-20-26-16-6-2-3-7-17(16)27-20)12-9-21-28-19(14-31-21)22(30)25-13-18-15(23)5-4-10-24-18;;;/h2-7,10,14H,8-9,11-13H2,1H3,(H,25,30)(H,26,27);3*1H
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| InChIKey |
KOIGSBPITDSTGK-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