Molecule card · MolClass #45697
24820515
24820515: 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
- 24820515Mitochondrial Fusion · compound_name
- MolClass ID
- 45697
- InChIKey
- HCCADCGJTAFYPW-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)c2cnn3c(ccnc23)c4cccs4
- Standard InChI
- InChI=1S/C16H10FN3S/c17-12-5-3-11(4-6-12)13-10-19-20-14(7-8-18-16(13)20)15-2-1-9-21-15/h1-10H
- Stored Murcko scaffold
- n1ccc(-c2sccc2)n3ncc(-c4ccccc4)c13
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.649
- 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 · 24820515