Molecule card · MolClass #43695
850224
850224: 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
- 850224Mitochondrial Fusion · compound_name
- MolClass ID
- 43695
- InChIKey
- ZZLDIQDMSVMAQS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)N2CCN(C2)C(=O)CN3CCCC3
- Standard InChI
- InChI=1S/C17H23N3O2/c1-14-4-6-15(7-5-14)17(22)20-11-10-19(13-20)16(21)12-18-8-2-3-9-18/h4-7H,2-3,8-13H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N2CN([CH]CN3CCCC3)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 43.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.606
- 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 · 850224