Molecule card · MolClass #52533
843015
843015: 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
- 843015Mitochondrial Fusion · compound_name
- MolClass ID
- 52533
- InChIKey
- CRRACWHCQBUBBT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)c3cc(CN(C(C)=O)C1CCCCC1)c(O)nc3(c2)
- Standard InChI
- InChI=1S/C20H26N2O2/c1-13-9-14(2)18-11-16(20(24)21-19(18)10-13)12-22(15(3)23)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3,(H,21,24)
- Stored Murcko scaffold
- n1cc(cc2ccccc12)C[N]C3CCCCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.689
- 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 · 843015