Molecule card · MolClass #52027
7964754
7964754: 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
- 7964754Mitochondrial Fusion · compound_name
- MolClass ID
- 52027
- InChIKey
- IXHRPSIJGXCIOH-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1c2c(C)nn3c(cc(C)nc23)N4CCCCCC4
- Standard InChI
- InChI=1S/C21H26N4O/c1-15-14-19(24-12-8-4-5-9-13-24)25-21(22-15)20(16(2)23-25)17-10-6-7-11-18(17)26-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3
- Stored Murcko scaffold
- n1ccc(n2ncc(-c3ccccc3)c12)N4CCCCCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.458 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.087
- 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 · 7964754