Molecule card · MolClass #39828
24799850
24799850: 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
- 24799850Mitochondrial Fusion · compound_name
- MolClass ID
- 39828
- InChIKey
- VSPBXXAVMJANBD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)c4ccc(F)cc4(CN3CCN(Cc2ccccc2)C(CCO)C3)
- Standard InChI
- InChI=1S/C25H31FN4O/c1-19-14-20(2)30(27-19)25-9-8-23(26)15-22(25)17-28-11-12-29(24(18-28)10-13-31)16-21-6-4-3-5-7-21/h3-9,14-15,24,31H,10-13,16-18H2,1-2H3
- Stored Murcko scaffold
- n1cccn1-c2ccccc2CN3CCN(Cc4ccccc4)CC3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 422.539 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.531
- 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 · 24799850