Molecule card · MolClass #49575
24794461
24794461: 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
- 24794461Mitochondrial Fusion · compound_name
- MolClass ID
- 49575
- InChIKey
- UVCIDWYNCGVIJI-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c1ccc(cc1)OCCNC(Nc2ccccc2)=S
- Standard InChI
- InChI=1S/C19H24N2OS/c1-19(2,3)15-9-11-17(12-10-15)22-14-13-20-18(23)21-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,20,21,23)
- Stored Murcko scaffold
- O(c1ccccc1)CCN[CH]Nc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.473 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.235
- 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 · 24794461