Molecule card · MolClass #49633
24789975
24789975: 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
- 24789975Mitochondrial Fusion · compound_name
- MolClass ID
- 49633
- InChIKey
- BVOMQBYNVJZOFR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2CCN(C2)C(NC3CCCCC3)=S
- Standard InChI
- InChI=1S/C18H26N2S/c1-14-7-9-15(10-8-14)16-11-12-20(13-16)18(21)19-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-13H2,1H3,(H,19,21)
- Stored Murcko scaffold
- c1ccc(cc1)C2CN([CH]NC3CCCCC3)CC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.479 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.959
- 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 · 24789975