Molecule card · MolClass #41069
7970101
7970101: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7970101Mitochondrial Fusion · compound_name
- MolClass ID
- 41069
- InChIKey
- STUXGHBBVDQONL-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCC2C(C#N)=C(N)OC=1CCCC(=O)C=12
- Standard InChI
- InChI=1S/C16H22N2O2/c1-2-3-4-5-7-11-12(10-17)16(18)20-14-9-6-8-13(19)15(11)14/h11H,2-9,18H2,1H3
- Stored Murcko scaffold
- O1C=CCC=2[CH]CCCC12
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.023
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7970101