Molecule card · MolClass #51624
14733600
14733600: 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
- 14733600Mitochondrial Fusion · compound_name
- MolClass ID
- 51624
- InChIKey
- KHDMUSJFRINSDC-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCSCc1ccccc1Cl)N2CCN(CC2)c3cccc(c3)Cl
- Standard InChI
- InChI=1S/C20H22Cl2N2OS/c21-17-5-3-6-18(14-17)23-9-11-24(12-10-23)20(25)8-13-26-15-16-4-1-2-7-19(16)22/h1-7,14H,8-13,15H2
- Stored Murcko scaffold
- S(Cc1ccccc1)CC[CH]N2CCN(c3ccccc3)CC2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.338
- 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 · 14733600