General Information of the Compound
| Compound ID |
CP0405526
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| Compound Name |
6-Chloro-pyridazine-3-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C13H6ClF6N3O
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| Molecular Weight |
369.652
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)c2ccc(Cl)nn2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C13H6ClF6N3O/c14-10-2-1-9(22-23-10)11(24)21-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5H,(H,21,24)
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| InChIKey |
KTVJBKNOZYURGN-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