Molecule card · MolClass #39465
7966045
7966045: 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
- 7966045Mitochondrial Fusion · compound_name
- MolClass ID
- 39465
- InChIKey
- MTPBVCOOHVQYGM-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCN(CC1)C(=O)c2cnn3ccccc23
- Standard InChI
- InChI=1S/C15H18N4O3/c1-2-22-15(21)18-9-7-17(8-10-18)14(20)12-11-16-19-6-4-3-5-13(12)19/h3-6,11H,2,7-10H2,1H3
- Stored Murcko scaffold
- n1cc([CH]N2CC[N]CC2)c3ccccn13
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.071
- 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 · 7966045