General Information of the Compound
| Compound ID |
CP0904081
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| Compound Name |
2-(2-{[2-(5-Fluoro-1H-1,3-benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-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(NCc1ncccc1F)c1csc(CCNCCc2nc3cc(F)ccc3[nH]2)n1
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| InChI |
InChI=1S/C21H20F2N6OS.3ClH/c22-13-3-4-15-16(10-13)28-19(27-15)5-8-24-9-6-20-29-18(12-31-20)21(30)26-11-17-14(23)2-1-7-25-17;;;/h1-4,7,10,12,24H,5-6,8-9,11H2,(H,26,30)(H,27,28);3*1H
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| InChIKey |
DEELMEYKQLQFIQ-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