Molecule card · MolClass #49672
24788397
24788397: 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
- 24788397Mitochondrial Fusion · compound_name
- MolClass ID
- 49672
- InChIKey
- FAWVPFHQJOPOLB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc3c(c1)NC(N(C2CCCC2)C3(=O))=S)N4CCCCCC4
- Standard InChI
- InChI=1S/C20H25N3O2S/c24-18(22-11-5-1-2-6-12-22)14-9-10-16-17(13-14)21-20(26)23(19(16)25)15-7-3-4-8-15/h9-10,13,15H,1-8,11-12H2,(H,21,26)
- Stored Murcko scaffold
- c1cc2[CH]N([CH]Nc2cc1[CH]N3CCCCCC3)C4CCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.498 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.543
- 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 · 24788397