General Information of the Compound
| Compound ID |
CP0731710
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| Compound Name |
6-(azetidin-1-yl)-5-chloropyrimidine-2,4(1H,3H)-dione hydrochloride
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| Structure |
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| Formula |
C7H9Cl2N3O2
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| Molecular Weight |
238.074
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| Canonical SMILES |
Cl.Oc1nc(O)c(Cl)c(N2CCC2)n1
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| InChI |
InChI=1S/C7H8ClN3O2.ClH/c8-4-5(11-2-1-3-11)9-7(13)10-6(4)12;/h1-3H2,(H2,9,10,12,13);1H
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| InChIKey |
QJLBGSOCFRJZHB-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