Molecule card · MolClass #51592
14735628
14735628: 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
- 14735628Mitochondrial Fusion · compound_name
- MolClass ID
- 51592
- InChIKey
- LDWQLYFPFGGNTG-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)C(=O)c3c(C)c2c(ncnc2s3)N(C)c4ccccc4
- Standard InChI
- InChI=1S/C21H24N4OS/c1-14-9-11-25(12-10-14)21(26)18-15(2)17-19(22-13-23-20(17)27-18)24(3)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
- Stored Murcko scaffold
- n1cnc(Nc2ccccc2)c3cc(sc13)[CH]N4CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.508 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.821
- 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 · 14735628