Molecule card · MolClass #49079
24825350
24825350: 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
- 24825350Mitochondrial Fusion · compound_name
- MolClass ID
- 49079
- InChIKey
- GMIMVSZEPYEDIB-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)N2CCN(CC2)c6nc(CN3CCOCC3)nc4c6(c(cs4)c5ccccc5)
- Standard InChI
- InChI=1S/C27H28FN5OS/c28-21-6-8-22(9-7-21)32-10-12-33(13-11-32)26-25-23(20-4-2-1-3-5-20)19-35-27(25)30-24(29-26)18-31-14-16-34-17-15-31/h1-9,19H,10-18H2
- Stored Murcko scaffold
- n1c(nc(c2c1scc2-c3ccccc3)N4CCN(c5ccccc5)CC4)CN6CCOCC6
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 489.61 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.04
- 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 · 24825350