Molecule card · MolClass #50423
17512930
17512930: 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
- 17512930Mitochondrial Fusion · compound_name
- MolClass ID
- 50423
- InChIKey
- RRSLLQLMRWNJBR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1cccc(c1)Cl)C3C2CCC4C(CCC23)C4(Cl)Cl
- Standard InChI
- InChI=1S/C17H18Cl3NO/c18-9-2-1-3-10(8-9)21-16(22)15-11-4-6-13-14(17(13,19)20)7-5-12(11)15/h1-3,8,11-15H,4-7H2,(H,21,22)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]C2C3CCC4CC4CCC23
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.69 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.905
- 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 · 17512930