General Information of the Compound
| Compound ID |
CP0961729
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difIuorophenoxy)piperidin-1-yl)phenyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C23H19F2N5O2
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| Molecular Weight |
435.434
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnn2)c1
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| InChI |
InChI=1S/C23H19F2N5O2/c24-16-4-6-22(18(25)13-16)32-17-7-10-30(11-8-17)21-5-3-15(14-26)12-20(21)28-23(31)19-2-1-9-27-29-19/h1-6,9,12-13,17H,7-8,10-11H2,(H,28,31)
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| InChIKey |
MSYQIMZPJYWMIF-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