Molecule card · MolClass #40575
24829881
24829881: 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
- 24829881Mitochondrial Fusion · compound_name
- MolClass ID
- 40575
- InChIKey
- XMPPFFMSMLLXOG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)n1c2ccc(C(=O)NN)s2
- Standard InChI
- InChI=1S/C11H13N3OS/c1-7-3-4-8(2)14(7)10-6-5-9(16-10)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
- Stored Murcko scaffold
- s1cccc1-n2cccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.622
- 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 · 24829881