Molecule card · MolClass #50530
17510308
17510308: 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
- 17510308Mitochondrial Fusion · compound_name
- MolClass ID
- 50530
- InChIKey
- YLVVRXAFZDBZOE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N3C(=O)C(Oc2ccc(cc2Cl)Cl)C3(C=O)
- Standard InChI
- InChI=1S/C18H15Cl2NO3/c1-10-4-3-5-14(11(10)2)21-15(9-22)17(18(21)23)24-16-7-6-12(19)8-13(16)20/h3-9,15,17H,1-2H3
- Stored Murcko scaffold
- O(c1ccccc1)C2[CH]N(c3ccccc3)C2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.223 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.516
- 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 · 17510308