Molecule card · MolClass #48701
24780260
24780260: 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
- 24780260Mitochondrial Fusion · compound_name
- MolClass ID
- 48701
- InChIKey
- USLMMNNBTHYHKY-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C)n(CCN(C)Cc2nc(Cc1ccccc1(F))no2)n3
- Standard InChI
- InChI=1S/C18H22FN5O/c1-13-10-14(2)24(21-13)9-8-23(3)12-18-20-17(22-25-18)11-15-6-4-5-7-16(15)19/h4-7,10H,8-9,11-12H2,1-3H3
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CNCCn3nccc3
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.
- 24786333#47196
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.692
- 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 · 24780260