Molecule card · MolClass #40993
24786465
24786465: 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
- 24786465Mitochondrial Fusion · compound_name
- MolClass ID
- 40993
- InChIKey
- CIOBJTARDVZMKX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2(CCCC2)c4noc(CN(C)CCCN3CCOCC3)n4
- Standard InChI
- InChI=1S/C23H34N4O2/c1-19-6-8-20(9-7-19)23(10-3-4-11-23)22-24-21(29-25-22)18-26(2)12-5-13-27-14-16-28-17-15-27/h6-9H,3-5,10-18H2,1-2H3
- Stored Murcko scaffold
- n1oc(nc1C2(c3ccccc3)CCCC2)CNCCCN4CCOCC4
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.543 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.697
- 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 · 24786465