Molecule card · MolClass #41141
4244277
4244277: 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
- 4244277Mitochondrial Fusion · compound_name
- MolClass ID
- 41141
- InChIKey
- PMPFMAJFPJSSMA-UHFFFAOYSA-N
- Canonical SMILES
- CC2=CSC3=NC=C(C(=O)NCc1ccco1)C(=O)N23
- Standard InChI
- InChI=1S/C13H11N3O3S/c1-8-7-20-13-15-6-10(12(18)16(8)13)11(17)14-5-9-3-2-4-19-9/h2-4,6-7H,5H2,1H3,(H,14,17)
- Stored Murcko scaffold
- N=1C=C([CH]NCc2occc2)[CH]N3C=CSC13
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.29
- 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 · 4244277