Molecule card · MolClass #37885
7966374
7966374: 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
- 7966374Mitochondrial Fusion · compound_name
- MolClass ID
- 37885
- InChIKey
- XZBZNJKTCSLYJV-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1cnn2ccccc12)N4CCc3ccccc34
- Standard InChI
- InChI=1S/C16H13N3O/c20-16(13-11-17-19-9-4-3-7-15(13)19)18-10-8-12-5-1-2-6-14(12)18/h1-7,9,11H,8,10H2
- Stored Murcko scaffold
- n1cc([CH]N2c3ccccc3CC2)c4ccccn14
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.457
- 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 · 7966374