General Information of the Compound
| Compound ID |
CP0493843
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| Compound Name |
N-(1,3-thiazol-2-ylmethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C21H19F3N6O2S
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| Molecular Weight |
476.484
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| Canonical SMILES |
FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1nccs1
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| InChI |
InChI=1S/C21H19F3N6O2S/c22-21(23,24)15-4-2-1-3-14(15)20(32)30-10-8-29(9-11-30)17-6-5-16(27-28-17)19(31)26-13-18-25-7-12-33-18/h1-7,12H,8-11,13H2,(H,26,31)
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| InChIKey |
NJJGBNUYIOHKAB-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