Molecule card · MolClass #52561
24815198
24815198: 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
- 24815198Mitochondrial Fusion · compound_name
- MolClass ID
- 52561
- InChIKey
- OSXRNLMMTUAVLN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(NCC(C)CSc2ccc(cc2)Cl)=S
- Standard InChI
- InChI=1S/C18H21ClN2S2/c1-13-3-7-16(8-4-13)21-18(22)20-11-14(2)12-23-17-9-5-15(19)6-10-17/h3-10,14H,11-12H2,1-2H3,(H2,20,21,22)
- Stored Murcko scaffold
- S(c1ccccc1)CCCN[CH]Nc2ccccc2
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.
- 24813784#52553
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.959 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.894
- 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 · 24815198