Molecule card · MolClass #49686
24787715
24787715: 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
- 24787715Mitochondrial Fusion · compound_name
- MolClass ID
- 49686
- InChIKey
- DOFAPARIUADDKR-ZHACJKMWSA-N
- Canonical SMILES
- O=C(C=Cc1ccco1)Nc2ccccc2N3CCCCC3
- Standard InChI
- InChI=1S/C18H20N2O2/c21-18(11-10-15-7-6-14-22-15)19-16-8-2-3-9-17(16)20-12-4-1-5-13-20/h2-3,6-11,14H,1,4-5,12-13H2,(H,19,21)/b11-10+
- Stored Murcko scaffold
- o1cccc1C=C[CH]Nc2ccccc2N3CCCCC3
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
- 3
- 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
- 45.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.158
- 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 · 24787715