General Information of the Compound
| Compound ID |
CP0907044
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-yl)amino]ethyl}-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C19H19Cl2FN6OS
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| Molecular Weight |
469.373
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| Canonical SMILES |
Cl.Cl.O=C(NCc1ncccc1F)c1csc(CCNc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C19H17FN6OS.2ClH/c20-12-4-3-8-21-15(12)10-23-18(27)16-11-28-17(24-16)7-9-22-19-25-13-5-1-2-6-14(13)26-19;;/h1-6,8,11H,7,9-10H2,(H,23,27)(H2,22,25,26);2*1H
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| InChIKey |
GNNSQRCNGKMKCH-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