General Information of the Compound
| Compound ID |
CP0458162
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| Compound Name |
5-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)pentanenitrile
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| Structure |
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| Formula |
C9H11N3O2
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| Molecular Weight |
193.206
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| Canonical SMILES |
Oc1cc(O)nc(CCCCC#N)n1
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| InChI |
InChI=1S/C9H11N3O2/c10-5-3-1-2-4-7-11-8(13)6-9(14)12-7/h6H,1-4H2,(H2,11,12,13,14)
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| InChIKey |
LLTJDGKJIFDICK-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