Molecule card · MolClass #45583
843148
843148: 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
- 843148Mitochondrial Fusion · compound_name
- MolClass ID
- 45583
- InChIKey
- KYHQOFGLPKLLGR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccnc(c1)N3C(=O)c4ccccc4(N=C3(c2ccco2))
- Standard InChI
- InChI=1S/C18H13N3O2/c1-12-8-9-19-16(11-12)21-17(15-7-4-10-23-15)20-14-6-3-2-5-13(14)18(21)22/h2-11H,1H3
- Stored Murcko scaffold
- n1ccccc1N2[CH]c3ccccc3N=C2c4occc4
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.315 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.971
- 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 · 843148