Molecule card · MolClass #44694
24800690
24800690: 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
- 24800690Mitochondrial Fusion · compound_name
- MolClass ID
- 44694
- InChIKey
- NZEVGRHVHLOISI-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ncc(CN2CCN(Cc1ccc(F)cc1)C(CCO)C2)s3
- Standard InChI
- InChI=1S/C18H24FN3OS/c1-14-20-10-18(24-14)13-21-7-8-22(17(12-21)6-9-23)11-15-2-4-16(19)5-3-15/h2-5,10,17,23H,6-9,11-13H2,1H3
- Stored Murcko scaffold
- n1csc(c1)CN2CCN(Cc3ccccc3)CC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.468 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.029
- 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 · 24800690