Molecule card · MolClass #37108
4256980
4256980: 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
- 4256980Mitochondrial Fusion · compound_name
- MolClass ID
- 37108
- InChIKey
- ODHBWJRKMYXMQZ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc5c(c1)ncn5(Cc4nnc3n4(nc(c2cccs2)s3))
- Standard InChI
- InChI=1S/C15H10N6S2/c1-2-5-11-10(4-1)16-9-20(11)8-13-17-18-15-21(13)19-14(23-15)12-6-3-7-22-12/h1-7,9H,8H2
- Stored Murcko scaffold
- n1nc(n2nc(sc12)-c3sccc3)Cn4cnc5ccccc54
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.496
- 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 · 4256980