Molecule card · MolClass #39838
4242299
4242299: 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
- 4242299Mitochondrial Fusion · compound_name
- MolClass ID
- 39838
- InChIKey
- MFOSPKMOBGUVJI-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1ccc(cc1)c4nc5N=C2CC(C)(C)CC(O)=C2C(c3cccnc3)n5(n4)
- Standard InChI
- InChI=1S/C24H26N6O/c1-24(2)12-18-20(19(31)13-24)21(16-6-5-11-25-14-16)30-23(26-18)27-22(28-30)15-7-9-17(10-8-15)29(3)4/h5-11,14,21,31H,12-13H2,1-4H3
- Stored Murcko scaffold
- n1cccc(c1)C2C3=CCCCC3=Nc4nc(nn42)-c5ccccc5
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 414.504 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.814
- 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 · 4242299