Molecule card · MolClass #48561
24798489
24798489: 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
- 24798489Mitochondrial Fusion · compound_name
- MolClass ID
- 48561
- InChIKey
- HIQFZJIVNAEVQP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCN1CCN(CC1(CCO))Cc2nc(cs2)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C21H30FN3OS/c1-16(2)7-9-25-11-10-24(13-19(25)8-12-26)14-21-23-20(15-27-21)17-3-5-18(22)6-4-17/h3-6,15-16,19,26H,7-14H2,1-2H3
- Stored Murcko scaffold
- n1c(csc1CN2CCNCC2)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.548 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.59
- 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 · 24798489