Molecule card · MolClass #36701
24799324
24799324: 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
- 24799324Mitochondrial Fusion · compound_name
- MolClass ID
- 36701
- InChIKey
- KAHZZVOWLVJRNO-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN3CCN(Cc1cc(F)ccc1n2cccn2)CC3(CCO)
- Standard InChI
- InChI=1S/C20H29FN4O/c1-16(2)13-24-10-9-23(15-19(24)6-11-26)14-17-12-18(21)4-5-20(17)25-8-3-7-22-25/h3-5,7-8,12,16,19,26H,6,9-11,13-15H2,1-2H3
- Stored Murcko scaffold
- n1cccn1-c2ccccc2CN3CCNCC3
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.
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
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.47 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.482
- 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 · 24799324