General Information of the Compound
| Compound ID |
CP0905657
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| Compound Name |
2-(2-{[(6-Fluoro-1H-1,3-benzodiazol-2-yl)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 |
C20H21Cl3F2N6OS
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| Molecular Weight |
537.851
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| Canonical SMILES |
Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc(CCNCc2nc3ccc(F)cc3[nH]2)n1
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| InChI |
InChI=1S/C20H18F2N6OS.3ClH/c21-12-3-4-14-15(8-12)27-18(26-14)10-23-7-5-19-28-17(11-30-19)20(29)25-9-16-13(22)2-1-6-24-16;;;/h1-4,6,8,11,23H,5,7,9-10H2,(H,25,29)(H,26,27);3*1H
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| InChIKey |
BAPAEWVFYYBBAH-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