Molecule card · MolClass #42403
24788099
24788099: 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
- 24788099Mitochondrial Fusion · compound_name
- MolClass ID
- 42403
- InChIKey
- QVWBTEKCOOHUOG-UHFFFAOYSA-N
- Canonical SMILES
- O=C1NC(=O)c2nc(cnc2(N1))c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C12H7ClN4O2/c13-7-3-1-6(2-4-7)8-5-14-10-9(15-8)11(18)17-12(19)16-10/h1-5H,(H2,14,16,17,18,19)
- Stored Murcko scaffold
- n1cc(nc2[CH]N[CH]Nc12)-c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.663 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.445
- 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 · 24788099