General Information of the Compound
| Compound ID |
CP0485527
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| Compound Name |
5-nitroso-6-(3-phenylpropylamino)-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C13H14N4O3
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| Molecular Weight |
274.28
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| Canonical SMILES |
O=Nc1c(NCCCc2ccccc2)[nH]c(=O)[nH]c1=O
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| InChI |
InChI=1S/C13H14N4O3/c18-12-10(17-20)11(15-13(19)16-12)14-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,14,15,16,18,19)
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| InChIKey |
RYAJWJJBCKWOFW-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