General Information of the Compound
| Compound ID |
CP0109291
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| Compound Name |
6-(octylamino)-1H-pyrimidine-2,4-dione
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| Synonyms |
6-n-octyl aminouracil
6-n-octylaminouracil
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| Structure |
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| Formula |
C12H21N3O2
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| Molecular Weight |
239.319
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| Canonical SMILES |
CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
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| InChI |
InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
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| InChIKey |
PFSWASUQURIOOR-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
Protein ID: PT04383, G-protein coupled receptor 84
Cell-based Assay
Clinical Information about the Compound