Molecule card · MolClass #39160
24809247
24809247: 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
- 24809247Mitochondrial Fusion · compound_name
- MolClass ID
- 39160
- InChIKey
- CXVCOIDGWFPMBV-UHFFFAOYSA-N
- Canonical SMILES
- CCC2(Cc1ccccc1)(NC(=O)c3ccccc3(O2))
- Standard InChI
- InChI=1S/C17H17NO2/c1-2-17(12-13-8-4-3-5-9-13)18-16(19)14-10-6-7-11-15(14)20-17/h3-11H,2,12H2,1H3,(H,18,19)
- Stored Murcko scaffold
- O1c2ccccc2[CH]NC1Cc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.323 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.949
- 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 · 24809247