Molecule card · MolClass #45969
24830883
24830883: 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
- 24830883Mitochondrial Fusion · compound_name
- MolClass ID
- 45969
- InChIKey
- BJNGSBJHZVXNCB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C(=O)CCl)c(C)n2(CCc1ccccc1)
- Standard InChI
- InChI=1S/C16H18ClNO/c1-12-10-15(16(19)11-17)13(2)18(12)9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CCn2cccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.774 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.495
- 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 · 24830883