Molecule card · MolClass #45764
4255176
4255176: 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
- 4255176Mitochondrial Fusion · compound_name
- MolClass ID
- 45764
- InChIKey
- VOSULMSUARJZJA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)CC2CC(=O)N(C2(=O))c3ncccn3
- Standard InChI
- InChI=1S/C16H15N3O2/c1-11-4-2-5-12(8-11)9-13-10-14(20)19(15(13)21)16-17-6-3-7-18-16/h2-8,13H,9-10H2,1H3
- Stored Murcko scaffold
- n1cccnc1N2[CH]CC([CH]2)Cc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.348
- 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 · 4255176