Molecule card · MolClass #35993
24800490
24800490: 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
- 24800490Mitochondrial Fusion · compound_name
- MolClass ID
- 35993
- InChIKey
- LOCVBHFHSSMDTC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCN(CC1(CCO))Cc3cccn3(c2cccnc2)
- Standard InChI
- InChI=1S/C19H28N4O/c1-16(2)22-11-10-21(15-19(22)7-12-24)14-18-6-4-9-23(18)17-5-3-8-20-13-17/h3-6,8-9,13,16,19,24H,7,10-12,14-15H2,1-2H3
- Stored Murcko scaffold
- n1cccc(c1)-n2cccc2CN3CCNCC3
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.
- 24800098#36678
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.41
- 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 · 24800490