General Information of the Compound
| Compound ID |
CP0372731
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| Compound Name |
3-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-benzonitrile
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| Synonyms |
3,3-Dimethyl-5-(3-cyanophenyl)indoline-2-one
3-(3,3-dimethyl-2-oxoindolin-5-yl)benzonitrile
BDBM50121164
CHEMBL117187
SCHEMBL3518135
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| Structure |
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| Formula |
C17H14N2O
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| Molecular Weight |
262.312
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| Canonical SMILES |
CC1(C)C(=O)Nc2ccc(cc12)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C17H14N2O/c1-17(2)14-9-13(6-7-15(14)19-16(17)20)12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,20)
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| InChIKey |
WZZPSUKZMZKXTQ-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