Molecule card · MolClass #45014
24788036
24788036: 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
- 24788036Mitochondrial Fusion · compound_name
- MolClass ID
- 45014
- InChIKey
- CHGIZUQZOOIUTL-UHFFFAOYSA-N
- Canonical SMILES
- Oc2nc4cccc5C(=O)c1ccccc1c(c2C(=O)c3ccccc3)c45
- Standard InChI
- InChI=1S/C23H13NO3/c25-21(13-7-2-1-3-8-13)20-19-14-9-4-5-10-15(14)22(26)16-11-6-12-17(18(16)19)24-23(20)27/h1-12H,(H,24,27)
- Stored Murcko scaffold
- n1cc([CH]c2ccccc2)c3c4ccccc4cc5cccc1c53
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.902
- 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 · 24788036