Molecule card · MolClass #51790
14728379
14728379: 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
- 14728379Mitochondrial Fusion · compound_name
- MolClass ID
- 51790
- InChIKey
- RMXHLEDDJIDKFQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(cnc2cc3OCOc3(cc12))C(=O)c4ccc(c(c4)Cl)Cl
- Standard InChI
- InChI=1S/C18H11Cl2NO3/c1-9-11-5-16-17(24-8-23-16)6-15(11)21-7-12(9)18(22)10-2-3-13(19)14(20)4-10/h2-7H,8H2,1H3
- Stored Murcko scaffold
- n1cc([CH]c2ccccc2)cc3cc4OCOc4cc13
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.191 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.849
- 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 · 14728379