Molecule card · MolClass #44976
24781077
24781077: 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
- 24781077Mitochondrial Fusion · compound_name
- MolClass ID
- 44976
- InChIKey
- ALXBCZYDKGYOPR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c3ccncc3
- Standard InChI
- InChI=1S/C21H23N5O2S/c1-14-7-5-6-8-17(14)26(20(28)16-13-29-25-24-16)18(15-9-11-22-12-10-15)19(27)23-21(2,3)4/h5-13,18H,1-4H3,(H,23,27)
- Stored Murcko scaffold
- n1nc(cs1)[CH]N(c2ccccc2)Cc3ccncc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.507 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.869
- 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 · 24781077