General Information of the Compound
| Compound ID |
CP0423935
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| Compound Name |
1-(3-cyanophenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
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| Structure |
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| Formula |
C12H11N5O2
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| Molecular Weight |
257.253
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| Canonical SMILES |
O=C(NC1=NC(=O)CCN1)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C12H11N5O2/c13-7-8-2-1-3-9(6-8)15-12(19)17-11-14-5-4-10(18)16-11/h1-3,6H,4-5H2,(H3,14,15,16,17,18,19)
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| InChIKey |
SKYLPCRARVLFIM-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