Molecule card · MolClass #41364
24781551
24781551: 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
- 24781551Mitochondrial Fusion · compound_name
- MolClass ID
- 41364
- InChIKey
- OJZDSQQBUYCBJW-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(OC)c(c1)NC3=NC(=O)c2cccnc2S3
- Standard InChI
- InChI=1S/C15H13N3O3S/c1-20-9-5-6-12(21-2)11(8-9)17-15-18-13(19)10-4-3-7-16-14(10)22-15/h3-8H,1-2H3,(H,17,18,19)
- Stored Murcko scaffold
- n1cccc2[CH]N=C(Sc12)Nc3ccccc3
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.184
- 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 · 24781551