Molecule card · MolClass #48966
24832289
24832289: 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
- 24832289Mitochondrial Fusion · compound_name
- MolClass ID
- 48966
- InChIKey
- BWVZISVNVMKJBZ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c3c(C)c2c(nc(CSc1ccccc1)nc2s3)N4CCC(CC4)C(N)=O
- Standard InChI
- InChI=1S/C23H26N4O3S2/c1-3-30-23(29)19-14(2)18-21(27-11-9-15(10-12-27)20(24)28)25-17(26-22(18)32-19)13-31-16-7-5-4-6-8-16/h4-8,15H,3,9-13H2,1-2H3,(H2,24,28)
- Stored Murcko scaffold
- n1c(nc(c2ccsc12)N3CCCCC3)CSc4ccccc4
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
- 7
- 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
- 151.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 470.611 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.279
- 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 · 24832289