General Information of the Compound
| Compound ID |
CP0458092
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| Compound Name |
6-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C14H15ClN4O2
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| Molecular Weight |
306.753
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CC1)c1cc(=O)[nH]c(=O)[nH]1
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| InChI |
InChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)18-5-7-19(8-6-18)12-9-13(20)17-14(21)16-12/h1-4,9H,5-8H2,(H2,16,17,20,21)
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| InChIKey |
ISWPHFACVYDGBT-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