Molecule card · MolClass #44549
24794739
24794739: 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
- 24794739Mitochondrial Fusion · compound_name
- MolClass ID
- 44549
- InChIKey
- HXTSBGQMUPMIAB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccnc(c1)NC(c2cccnc2)c4ccc3cccnc3c4(O)
- Standard InChI
- InChI=1S/C21H18N4O/c1-14-8-11-23-18(12-14)25-19(16-5-2-9-22-13-16)17-7-6-15-4-3-10-24-20(15)21(17)26/h2-13,19,26H,1H3,(H,23,25)
- Stored Murcko scaffold
- n1cccc(c1)C(Nc2ncccc2)c3ccc4cccnc4c3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.311
- 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 · 24794739