Molecule card · MolClass #49410
24805616
24805616: 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
- 24805616Mitochondrial Fusion · compound_name
- MolClass ID
- 49410
- InChIKey
- SYYKWZKXAPJPDK-UHFFFAOYSA-N
- Canonical SMILES
- OC1CCCN(C1)c3c5CCCCc5(nc2cc(nn23)c4cccc(F)c4)
- Standard InChI
- InChI=1S/C21H23FN4O/c22-15-6-3-5-14(11-15)19-12-20-23-18-9-2-1-8-17(18)21(26(20)24-19)25-10-4-7-16(27)13-25/h3,5-6,11-12,16,27H,1-2,4,7-10,13H2
- Stored Murcko scaffold
- n1c2cc(nn2c(c3c1CCCC3)N4CCCCC4)-c5ccccc5
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.367
- 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 · 24805616