Molecule card · MolClass #49383
24807501
24807501: 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
- 24807501Mitochondrial Fusion · compound_name
- MolClass ID
- 49383
- InChIKey
- NZHSKYSJBFOSKP-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c4nsc2c4(ncnc2N3CCCCC3(C))
- Standard InChI
- InChI=1S/C18H20N4OS/c1-12-5-3-4-10-22(12)18-17-16(19-11-20-18)15(21-24-17)13-6-8-14(23-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3
- Stored Murcko scaffold
- n1sc2c(ncnc2N3CCCCC3)c1-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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.288
- 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 · 24807501