General Information of the Compound
| Compound ID |
CP0795559
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| Compound Name |
5-bromo-6-[4-(5-bromo-2,6-dioxopyrimidin-4(1H,3H)-yl)piperazin-1-yl]pyrimidine-2,4(1H,3H)-dione dihydrochloride
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| Structure |
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| Formula |
C12H14Br2Cl2N6O4
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| Molecular Weight |
536.996
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| Canonical SMILES |
Cl.Cl.Oc1nc(O)c(Br)c(N2CCN(c3nc(O)nc(O)c3Br)CC2)n1
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| InChI |
InChI=1S/C12H12Br2N6O4.2ClH/c13-5-7(15-11(23)17-9(5)21)19-1-2-20(4-3-19)8-6(14)10(22)18-12(24)16-8;;/h1-4H2,(H2,15,17,21,23)(H2,16,18,22,24);2*1H
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| InChIKey |
BVIUNZBCLRRMRV-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