Molecule card · MolClass #50654
17505881
17505881: 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
- 17505881Mitochondrial Fusion · compound_name
- MolClass ID
- 50654
- InChIKey
- BZWRSDZIIFRPQV-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CC(C(=O)N1c2ccccc2)N(CCc3ccccc3)C(Nc4ccccc4)=S
- Standard InChI
- InChI=1S/C25H23N3O2S/c29-23-18-22(24(30)28(23)21-14-8-3-9-15-21)27(17-16-19-10-4-1-5-11-19)25(31)26-20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,31)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N(CCc2ccccc2)C3[CH]N([CH]C3)c4ccccc4
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.
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 429.536 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.595
- 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 · 17505881