Molecule card · MolClass #39957
14733317
14733317: 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
- 14733317Mitochondrial Fusion · compound_name
- MolClass ID
- 39957
- InChIKey
- PZEBZVFVLRMDCS-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1C3=NN2C(=O)C=C(C)N=C2S3
- Standard InChI
- InChI=1S/C13H11N3O2S/c1-8-7-11(17)16-13(14-8)19-12(15-16)9-5-3-4-6-10(9)18-2/h3-7H,1-2H3
- Stored Murcko scaffold
- N=1C=C[CH]N2N=C(SC12)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.312 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.094
- 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 · 14733317