Molecule card · MolClass #49820
24780722
24780722: 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
- 24780722Mitochondrial Fusion · compound_name
- MolClass ID
- 49820
- InChIKey
- VLTIAUCHIASBMZ-UHFFFAOYSA-N
- Canonical SMILES
- CCNc1nc(nc(n1)N2CCCCC2)NC(C)(C)C
- Standard InChI
- InChI=1S/C14H26N6/c1-5-15-11-16-12(19-14(2,3)4)18-13(17-11)20-9-7-6-8-10-20/h5-10H2,1-4H3,(H2,15,16,17,18,19)
- Stored Murcko scaffold
- n1cnc(nc1)N2CCCCC2
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.
- 1986340#15889
- 4242635#33471
- CSc1nc(N)nc(n1)N1CCCCC1#154736
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.397 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.291
- 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 · 24780722