Molecule card · MolClass #37051
24799015
24799015: 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
- 24799015Mitochondrial Fusion · compound_name
- MolClass ID
- 37051
- InChIKey
- LAZBPLWNPOFVQD-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCC(CC1)N2CCN(CC2(CCO))Cc3ccc(C#CC(C)(C)O)s3
- Standard InChI
- InChI=1S/C24H39N3O2S/c1-19(2)26-12-8-20(9-13-26)27-15-14-25(17-21(27)10-16-28)18-23-6-5-22(30-23)7-11-24(3,4)29/h5-6,19-21,28-29H,8-10,12-18H2,1-4H3
- Stored Murcko scaffold
- s1cccc1CN2CCN(CC2)C3CCNCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 433.652 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.553
- 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 · 24799015