Molecule card · MolClass #38211
24799776
24799776: 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
- 24799776Mitochondrial Fusion · compound_name
- MolClass ID
- 38211
- InChIKey
- JZJABVVKKRBBFY-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N3CCN(Cc1cccc2OCOc12)CC3(CCO)
- Standard InChI
- InChI=1S/C17H26N2O3/c1-13(2)19-8-7-18(11-15(19)6-9-20)10-14-4-3-5-16-17(14)22-12-21-16/h3-5,13,15,20H,6-12H2,1-2H3
- Stored Murcko scaffold
- O1c2cccc(c2OC1)CN3CCNCC3
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.
- 24799609#38441
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.474
- 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 · 24799776