Molecule card · MolClass #42756
24808915
24808915: 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
- 24808915Mitochondrial Fusion · compound_name
- MolClass ID
- 42756
- InChIKey
- DSSHOSHLYKWNRQ-UHFFFAOYSA-N
- Canonical SMILES
- CC=2CC(O)(c1ccncc1)N(N=2)C(=O)CCc3ccccc3
- Standard InChI
- InChI=1S/C18H19N3O2/c1-14-13-18(23,16-9-11-19-12-10-16)21(20-14)17(22)8-7-15-5-3-2-4-6-15/h2-6,9-12,23H,7-8,13H2,1H3
- Stored Murcko scaffold
- n1ccc(cc1)C2N(N=CC2)[CH]CCc3ccccc3
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
- 5
- 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
- 65.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.061
- 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 · 24808915