General Information of the Compound
| Compound ID |
CP0428057
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| Compound Name |
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrrole-2-carbonitrile
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| Synonyms |
5-(2-oxoindolin-5-yl)-1H-pyrrole-2-carbonitrile
CHEMBL270909
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| Structure |
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| Formula |
C13H9N3O
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| Molecular Weight |
223.235
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| Canonical SMILES |
O=C1Cc2cc(ccc2N1)-c1ccc([nH]1)C#N
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| InChI |
InChI=1S/C13H9N3O/c14-7-10-2-4-11(15-10)8-1-3-12-9(5-8)6-13(17)16-12/h1-5,15H,6H2,(H,16,17)
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| InChIKey |
TVDRXBFEEAXOTN-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
Clinical Information about the Compound