Molecule card · MolClass #42156
7978324
7978324: 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
- 7978324Mitochondrial Fusion · compound_name
- MolClass ID
- 42156
- InChIKey
- KGBYKSRNKJGSOO-UHFFFAOYSA-N
- Canonical SMILES
- O=C2Oc1c3CCCN4CCCc(cc1S2)c34
- Standard InChI
- InChI=1S/C13H13NO2S/c15-13-16-12-9-4-2-6-14-5-1-3-8(11(9)14)7-10(12)17-13/h7H,1-6H2
- Stored Murcko scaffold
- O1[CH]Sc2cc3c4c(c12)CCCN4CCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.491
- 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 · 7978324