Molecule card · MolClass #52022
7967501
7967501: 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
- 7967501Mitochondrial Fusion · compound_name
- MolClass ID
- 52022
- InChIKey
- IXHUXPBSFWTGTG-UHFFFAOYSA-N
- Canonical SMILES
- CCn3c1ccccc1c2nnc(nc23)SCc4ccccc4
- Standard InChI
- InChI=1S/C18H16N4S/c1-2-22-15-11-7-6-10-14(15)16-17(22)19-18(21-20-16)23-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
- Stored Murcko scaffold
- n1nc2c(nc1SCc3ccccc3)[nH]c4ccccc24
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.228
- 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 · 7967501