Molecule card · MolClass #37369
24786522
24786522: 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
- 24786522Mitochondrial Fusion · compound_name
- MolClass ID
- 37369
- InChIKey
- MODLHVPPZIRYIW-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccccc1C(=O)NNC3=NC(=O)c2cccnc2S3
- Standard InChI
- InChI=1S/C14H10N4O3S/c19-10-6-2-1-4-8(10)12(21)17-18-14-16-11(20)9-5-3-7-15-13(9)22-14/h1-7,19H,(H,17,21)(H,16,18,20)
- Stored Murcko scaffold
- n1cccc2[CH]N=C(Sc12)NN[CH]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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.941
- 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 · 24786522