Molecule card · MolClass #52024
7967950
7967950: 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
- 7967950Mitochondrial Fusion · compound_name
- MolClass ID
- 52024
- InChIKey
- JHUQTSSHKCFBMA-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N(Cc1nc(no1)c2ccc(cc2)Cl)C(=O)CCC3CCCC3
- Standard InChI
- InChI=1S/C20H26ClN3O2/c1-14(2)24(19(25)12-7-15-5-3-4-6-15)13-18-22-20(23-26-18)16-8-10-17(21)11-9-16/h8-11,14-15H,3-7,12-13H2,1-2H3
- Stored Murcko scaffold
- n1oc(nc1-c2ccccc2)C[N][CH]CCC3CCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.893 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.903
- 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 · 7967950