General Information of the Compound
| Compound ID |
CP0498271
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| Compound Name |
5-[3-(1-chlorocyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
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| Structure |
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| Formula |
C13H13ClN2O4
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| Molecular Weight |
296.71
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| Canonical SMILES |
ClC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
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| InChI |
InChI=1S/C13H13ClN2O4/c14-13(4-5-13)3-1-2-7-6-8(17)20-11-9(7)10(18)15-12(19)16-11/h6H,1-5H2,(H2,15,16,18,19)
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| InChIKey |
HHARUGPMJSHNQZ-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