General Information of the Compound
| Compound ID |
CP0452592
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| Compound Name |
2-((2-chloro-5-fluorophenoxy)methyl)-3-ethyl-6-(piperazin-1-yl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C17H20ClFN4O2
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| Molecular Weight |
366.824
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| Canonical SMILES |
CCn1c(COc2cc(F)ccc2Cl)nc(cc1=O)N1CCNCC1
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| InChI |
InChI=1S/C17H20ClFN4O2/c1-2-23-16(11-25-14-9-12(19)3-4-13(14)18)21-15(10-17(23)24)22-7-5-20-6-8-22/h3-4,9-10,20H,2,5-8,11H2,1H3
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| InChIKey |
RVKSMCQQENTFAO-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