General Information of the Compound
| Compound ID |
CP0452587
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| Compound Name |
3-methyl-6-(piperazin-1-yl)-2-((2-(trifluoromethyl)phenoxy)methyl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C17H19F3N4O2
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| Molecular Weight |
368.359
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| Canonical SMILES |
Cn1c(COc2ccccc2C(F)(F)F)nc(cc1=O)N1CCNCC1
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| InChI |
InChI=1S/C17H19F3N4O2/c1-23-15(11-26-13-5-3-2-4-12(13)17(18,19)20)22-14(10-16(23)25)24-8-6-21-7-9-24/h2-5,10,21H,6-9,11H2,1H3
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| InChIKey |
NONLLKWVHQMTNE-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