Molecule card · MolClass #38977
859875
859875: 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
- 859875Mitochondrial Fusion · compound_name
- MolClass ID
- 38977
- InChIKey
- NWPITXXIGYMABQ-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)c1cn(cc1N(C)C2(=O))c4cccc3ccccc34
- Standard InChI
- InChI=1S/C18H15N3O2/c1-19-16-11-21(10-14(16)17(22)20(2)18(19)23)15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,1-2H3
- Stored Murcko scaffold
- n1cnc2cn(cc2c1)-c3cccc4ccccc43
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.1
- 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 · 859875