PDB CCD ID: | MIB |
Number of entries in BioLiP: | 1 |
Chemical formula: | C13 H13 N O |
InChI: | InChI=1S/C13H13NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3/b8-7+ |
InChIKey: | HCYQBFAGILCNRB-BQYQJAHWSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | O=C(\C=C\c2c1ccccc1n(c2)C)C | OpenEye OEToolkits 1.5.0 | CC(=O)\C=C\c1cn(c2c1cccc2)C | CACTVS 3.341 | Cn1cc(C=CC(C)=O)c2ccccc12 | OpenEye OEToolkits 1.5.0 | CC(=O)C=Cc1cn(c2c1cccc2)C | CACTVS 3.341 | Cn1cc(/C=C/C(C)=O)c2ccccc12 |
|
Name: | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE |
DrugBank: | DB08186 |
ZINC: | ZINC000012379249 |