Molecule card · MolClass #49634
24789204
24789204: 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
- 24789204Mitochondrial Fusion · compound_name
- MolClass ID
- 49634
- InChIKey
- CEMOOTYSHFFJLN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2CCN(C2)C(Nc3cccc(c3)Cl)=S
- Standard InChI
- InChI=1S/C18H19ClN2S/c1-13-5-7-14(8-6-13)15-9-10-21(12-15)18(22)20-17-4-2-3-16(19)11-17/h2-8,11,15H,9-10,12H2,1H3,(H,20,22)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N2CCC(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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.877 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.319
- 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 · 24789204