Molecule card · MolClass #51387
14745903
14745903: 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
- 14745903Mitochondrial Fusion · compound_name
- MolClass ID
- 51387
- InChIKey
- HMLLXAPFHIVKFF-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c3ccc(C(=O)N2CCCc1ccccc12)s3)N5CCCc4ccccc45
- Standard InChI
- InChI=1S/C24H22N2O2S/c27-23(25-15-5-9-17-7-1-3-11-19(17)25)21-13-14-22(29-21)24(28)26-16-6-10-18-8-2-4-12-20(18)26/h1-4,7-8,11-14H,5-6,9-10,15-16H2
- Stored Murcko scaffold
- s1c(ccc1[CH]N2c3ccccc3CCC2)[CH]N4c5ccccc5CCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.511 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.343
- 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 · 14745903