General Information of the Compound
| Compound ID |
CP0426187
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| Compound Name |
N-(1H-benzimidazol-2-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C24H20F3N7O2
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| Molecular Weight |
495.465
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| Canonical SMILES |
FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H20F3N7O2/c25-24(26,27)16-6-2-1-5-15(16)22(36)34-13-11-33(12-14-34)20-10-9-19(31-32-20)21(35)30-23-28-17-7-3-4-8-18(17)29-23/h1-10H,11-14H2,(H2,28,29,30,35)
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| InChIKey |
SLQTUMVIMBTKIA-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