Molecule card · MolClass #43535
24828123
24828123: 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
- 24828123Mitochondrial Fusion · compound_name
- MolClass ID
- 43535
- InChIKey
- MWYHHTGLHHHUCN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc(n1)NC(=O)C=2CCC(=O)N(N=2)c3ccccc3
- Standard InChI
- InChI=1S/C15H14N4O2S/c1-10-9-22-15(16-10)17-14(21)12-7-8-13(20)19(18-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,17,21)
- Stored Murcko scaffold
- n1ccsc1N[CH]C2=NN([CH]CC2)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
- 6
- 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
- 102.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.521
- 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 · 24828123