Molecule card · MolClass #35587
7976174
7976174: 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
- 7976174Mitochondrial Fusion · compound_name
- MolClass ID
- 35587
- InChIKey
- QMXWPGNYNKFWCU-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)C4CC3CC2(CCCC2)N4(O3)
- Standard InChI
- InChI=1S/C15H19NO/c1-2-6-12(7-3-1)14-10-13-11-15(16(14)17-13)8-4-5-9-15/h1-3,6-7,13-14H,4-5,8-11H2
- Stored Murcko scaffold
- O1N2C(c3ccccc3)CC1CC24CCCC4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.169
- 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 · 7976174