Molecule card · MolClass #49690
24787079
24787079: 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
- 24787079Mitochondrial Fusion · compound_name
- MolClass ID
- 49690
- InChIKey
- QCMCUNZEDOLOBR-UHFFFAOYSA-N
- Canonical SMILES
- Oc4ccccc4(Nc3nc1ccccc1c(NCc2ccccc2)n3)
- Standard InChI
- InChI=1S/C21H18N4O/c26-19-13-7-6-12-18(19)24-21-23-17-11-5-4-10-16(17)20(25-21)22-14-15-8-2-1-3-9-15/h1-13,26H,14H2,(H2,22,23,24,25)
- Stored Murcko scaffold
- n1c(nc(NCc2ccccc2)c3ccccc13)Nc4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.131
- 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 · 24787079