Molecule card · MolClass #49244
24816220
24816220: 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
- 24816220Mitochondrial Fusion · compound_name
- MolClass ID
- 49244
- InChIKey
- GWRKDIQQZWKEPJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(C)sc(NC(=O)c1ccco1)c2C(c3ccc(F)cc3)N4CCN(C)CC4
- Standard InChI
- InChI=1S/C23H26FN3O2S/c1-15-16(2)30-23(25-22(28)19-5-4-14-29-19)20(15)21(17-6-8-18(24)9-7-17)27-12-10-26(3)11-13-27/h4-9,14,21H,10-13H2,1-3H3,(H,25,28)
- Stored Murcko scaffold
- o1cccc1[CH]Nc2sccc2C(c3ccccc3)N4CCNCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.537 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.239
- 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 · 24816220