Molecule card · MolClass #49558
24794269
24794269: 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
- 24794269Mitochondrial Fusion · compound_name
- MolClass ID
- 49558
- InChIKey
- OAWULUMDYNIAHL-UHFFFAOYSA-N
- Canonical SMILES
- CCCCc1ccc(cc1)NC(N2CCCC(C)C2)=S
- Standard InChI
- InChI=1S/C17H26N2S/c1-3-4-7-15-8-10-16(11-9-15)18-17(20)19-12-5-6-14(2)13-19/h8-11,14H,3-7,12-13H2,1-2H3,(H,18,20)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N2CCCCC2
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.
- 22404489#34915
- RDR 01685#80589
- RDR 01686#81140
- CCOC(=O)C1CCN(CC1)C(=S)Nc1ccccc1C(F)(F)F#154761
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.468 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.574
- 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 · 24794269