Molecule card · MolClass #38888
24817984
24817984: 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
- 24817984Mitochondrial Fusion · compound_name
- MolClass ID
- 38888
- InChIKey
- HTKGWPDQGROPQJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccccc2(NC(=O)n1c(N)nnc1SC)
- Standard InChI
- InChI=1S/C11H13N5OS/c1-7-5-3-4-6-8(7)13-10(17)16-9(12)14-15-11(16)18-2/h3-6H,1-2H3,(H2,12,14)(H,13,17)
- Stored Murcko scaffold
- n1ncn(c1)[CH]Nc2ccccc2
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.
- 24818066#28828
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.708
- 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 · 24817984