General Information of the Compound
| Compound ID |
CP0084102
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| Compound Name |
4-[4-(2,5-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 |
Fc1ccc(F)c(c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
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| InChI |
InChI=1S/C19H17F2N7O/c20-13-3-4-15(21)14(12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
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| InChIKey |
XLZSIQMUWHBAIY-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