Molecule card · MolClass #42006
17512192
17512192: 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
- 17512192Mitochondrial Fusion · compound_name
- MolClass ID
- 42006
- InChIKey
- XHMAXRGFAJKLCU-GIJQJNRQSA-N
- Canonical SMILES
- Cc1ccc(O)c(c1)N=Cc3c(c2ccccc2s3)Cl
- Standard InChI
- InChI=1S/C16H12ClNOS/c1-10-6-7-13(19)12(8-10)18-9-15-16(17)11-4-2-3-5-14(11)20-15/h2-9,19H,1H3/b18-9+
- Stored Murcko scaffold
- N(=Cc1sc2ccccc2c1)c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.792 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.384
- 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 · 17512192