Molecule card · MolClass #51221
17401421
17401421: 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
- 17401421Mitochondrial Fusion · compound_name
- MolClass ID
- 51221
- InChIKey
- QQAFPMSTDLZFFD-UHFFFAOYSA-N
- Canonical SMILES
- CCc3ccccc3(NC(=O)C2C(c1ccccc1)C2(Cl)Cl)
- Standard InChI
- InChI=1S/C18H17Cl2NO/c1-2-12-8-6-7-11-14(12)21-17(22)16-15(18(16,19)20)13-9-4-3-5-10-13/h3-11,15-16H,2H2,1H3,(H,21,22)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]C2CC2c3ccccc3
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.
- 24807688#49386
- 17386299#51296
- Clc1cccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c1#152432
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.349
- 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 · 17401421