General Information of the Compound
| Compound ID |
CP0239482
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| Compound Name |
4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C19H17F2N7O
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| Molecular Weight |
397.389
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| Canonical SMILES |
Fc1cccc(c1F)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
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| InChI |
InChI=1S/C19H17F2N7O/c20-14-4-1-3-13(17(14)21)15-6-8-22-18(24-15)27-9-11-28(12-10-27)19(29)25-16-5-2-7-23-26-16/h1-8H,9-12H2,(H,25,26,29)
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| InChIKey |
YFBOJOVDKALMLB-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