Molecule card · MolClass #47619
22408086
22408086: 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
- 22408086Mitochondrial Fusion · compound_name
- MolClass ID
- 47619
- InChIKey
- DZLICXXRCLRGEG-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc2c(c(C(=O)NCC1CCCO1)sc2c3Cl)Cl
- Standard InChI
- InChI=1S/C15H15Cl2NO3S/c1-20-10-5-4-9-11(16)14(22-13(9)12(10)17)15(19)18-7-8-3-2-6-21-8/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)
- Stored Murcko scaffold
- O1CCCC1CN[CH]c2sc3ccccc3c2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.294
- 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 · 22408086