Molecule card · MolClass #41931
852102
852102: 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
- 852102Mitochondrial Fusion · compound_name
- MolClass ID
- 41931
- InChIKey
- RABYBDNKVIOKHD-UHFFFAOYSA-N
- Canonical SMILES
- Nc2nnc(CCN1C(=O)CSC1(=O))s2
- Standard InChI
- InChI=1S/C7H8N4O2S2/c8-6-10-9-4(15-6)1-2-11-5(12)3-14-7(11)13/h1-3H2,(H2,8,10)
- Stored Murcko scaffold
- n1nc(sc1)CCN2[CH]SC[CH]2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 142.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.23
- 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 · 852102