Molecule card · MolClass #43104
24823042
24823042: 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
- 24823042Mitochondrial Fusion · compound_name
- MolClass ID
- 43104
- InChIKey
- PFZVAOKAPOCZBH-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c3nnn4c5ccccc5(c(NCc2ccccc2)nc34)
- Standard InChI
- InChI=1S/C23H19N5O/c1-29-18-13-11-17(12-14-18)21-23-25-22(24-15-16-7-3-2-4-8-16)19-9-5-6-10-20(19)28(23)27-26-21/h2-14H,15H2,1H3,(H,24,25)
- Stored Murcko scaffold
- n1nn2c(nc(NCc3ccccc3)c4ccccc42)c1-c5ccccc5
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.568
- 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 · 24823042