Molecule card · MolClass #40985
24799022
24799022: 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
- 24799022Mitochondrial Fusion · compound_name
- MolClass ID
- 40985
- InChIKey
- VAPHUCFCYXMADX-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1n2cc(cn2)CN4CCN(C3CCCCC3)C(CCO)C4
- Standard InChI
- InChI=1S/C23H34N4O2/c1-29-23-10-6-5-9-22(23)27-17-19(15-24-27)16-25-12-13-26(21(18-25)11-14-28)20-7-3-2-4-8-20/h5-6,9-10,15,17,20-21,28H,2-4,7-8,11-14,16,18H2,1H3
- Stored Murcko scaffold
- n1cc(cn1-c2ccccc2)CN3CCN(CC3)C4CCCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.543 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.941
- 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 · 24799022