General Information of the Compound
| Compound ID |
CP0379302
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| Compound Name |
4-(6-Phenyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
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| Structure |
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| Formula |
C22H20F3N5O2
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| Molecular Weight |
443.429
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(nn2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C22H20F3N5O2/c23-22(24,25)32-18-8-6-17(7-9-18)26-21(31)30-14-12-29(13-15-30)20-11-10-19(27-28-20)16-4-2-1-3-5-16/h1-11H,12-15H2,(H,26,31)
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| InChIKey |
WRLPDNULTKBYID-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