Molecule card · MolClass #36833
17410028
17410028: 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
- 17410028Mitochondrial Fusion · compound_name
- MolClass ID
- 36833
- InChIKey
- ASHLVRCHSPFZHC-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C2CC(=O)CC(=O)C2n3cncn3
- Standard InChI
- InChI=1S/C15H15N3O3/c1-21-12-4-2-10(3-5-12)13-6-11(19)7-14(20)15(13)18-9-16-8-17-18/h2-5,8-9,13,15H,6-7H2,1H3
- Stored Murcko scaffold
- n1cnn(c1)C2[CH]C[CH]CC2c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 74.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.229
- 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 · 17410028