Molecule card · MolClass #37827
24780310
24780310: 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
- 24780310Mitochondrial Fusion · compound_name
- MolClass ID
- 37827
- InChIKey
- DOTVOVWLDYGGKS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1C2CCCN(C2)Cc4nc(CC3CC3)no4
- Standard InChI
- InChI=1S/C19H25N3O/c1-14-5-2-3-7-17(14)16-6-4-10-22(12-16)13-19-20-18(21-23-19)11-15-8-9-15/h2-3,5,7,15-16H,4,6,8-13H2,1H3
- Stored Murcko scaffold
- n1oc(nc1CC2CC2)CN3CCCC(c4ccccc4)C3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.869
- 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 · 24780310