General Information of the Compound
| Compound ID |
CP0553103
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| Compound Name |
3-hydroxy-4-[(5-oxo-4-phenyl-1,4-dihydroimidazol-2-yl)amino]benzonitrile
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| Formula |
C16H12N4O2
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| Molecular Weight |
292.298
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| Canonical SMILES |
Oc1cc(ccc1NC1=NC(=O)C(N1)c1ccccc1)C#N
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| InChI |
InChI=1S/C16H12N4O2/c17-9-10-6-7-12(13(21)8-10)18-16-19-14(15(22)20-16)11-4-2-1-3-5-11/h1-8,14,21H,(H2,18,19,20,22)
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| InChIKey |
ULOZITGKQPTPQD-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: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2