General Information of the Compound
| Compound ID |
CP0388336
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| Compound Name |
2-((2-chloro-5-fluorophenoxy)methyl)-3-methyl-6-(piperazin-1-yl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C16H18ClFN4O2
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| Molecular Weight |
352.797
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| Canonical SMILES |
Cn1c(COc2cc(F)ccc2Cl)nc(cc1=O)N1CCNCC1
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| InChI |
InChI=1S/C16H18ClFN4O2/c1-21-15(10-24-13-8-11(18)2-3-12(13)17)20-14(9-16(21)23)22-6-4-19-5-7-22/h2-3,8-9,19H,4-7,10H2,1H3
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| InChIKey |
RBTVJWYFGHWNAS-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