General Information of the Compound
| Compound ID |
CP0339368
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| Compound Name |
4-[5-(2,4-difluorophenyl)pyridin-3-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C20H18F2N6O
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| Molecular Weight |
396.401
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| Canonical SMILES |
Fc1ccc(c(F)c1)-c1cncc(c1)N1CCN(CC1)C(=O)Nc1cccnn1
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| InChI |
InChI=1S/C20H18F2N6O/c21-15-3-4-17(18(22)11-15)14-10-16(13-23-12-14)27-6-8-28(9-7-27)20(29)25-19-2-1-5-24-26-19/h1-5,10-13H,6-9H2,(H,25,26,29)
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| InChIKey |
WKZHWFTXNOBZBB-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