Molecule card · MolClass #48015
24809587
24809587: 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
- 24809587Mitochondrial Fusion · compound_name
- MolClass ID
- 48015
- InChIKey
- GMSBOLABIKNIRE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)c3nnn(CC(=O)N2CCCCC2)n3
- Standard InChI
- InChI=1S/C13H17N5O2/c1-10-5-6-11(20-10)13-14-16-18(15-13)9-12(19)17-7-3-2-4-8-17/h5-6H,2-4,7-9H2,1H3
- Stored Murcko scaffold
- n1nn(nc1-c2occc2)C[CH]N3CCCCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.392
- 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 · 24809587