Molecule card · MolClass #49787
24782766
24782766: 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
- 24782766Mitochondrial Fusion · compound_name
- MolClass ID
- 49787
- InChIKey
- CDHAJNKEWXAYIV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)COc2ccccc2C(N3CCCC3)=S
- Standard InChI
- InChI=1S/C19H21NOS/c1-15-8-10-16(11-9-15)14-21-18-7-3-2-6-17(18)19(22)20-12-4-5-13-20/h2-3,6-11H,4-5,12-14H2,1H3
- Stored Murcko scaffold
- O(c1ccccc1[CH]N2CCCC2)Cc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.191
- 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 · 24782766