General Information of the Compound
| Compound ID |
CP0526449
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| Compound Name |
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine
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| Structure |
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| Formula |
C22H20FN7S
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| Molecular Weight |
433.516
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| Canonical SMILES |
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccncn2)n1)C1CCNCC1
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| InChI |
InChI=1S/C22H20FN7S/c23-16-3-1-14(2-4-16)19-20(31-21(30-19)15-5-9-24-10-6-15)17-7-12-26-22(28-17)29-18-8-11-25-13-27-18/h1-4,7-8,11-13,15,24H,5-6,9-10H2,(H,25,26,27,28,29)
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| InChIKey |
XQLHPFMGKSLXAG-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