Molecule card · MolClass #42141
865049
865049: 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
- 865049Mitochondrial Fusion · compound_name
- MolClass ID
- 42141
- InChIKey
- FXVDCWQZFVBITB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSc1ccc(cc1)Cl)Nn2cnnc2
- Standard InChI
- InChI=1S/C10H9ClN4OS/c11-8-1-3-9(4-2-8)17-5-10(16)14-15-6-12-13-7-15/h1-4,6-7H,5H2,(H,14,16)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]CSc2ccccc2
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
- 4
- 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
- 85.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.724 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.871
- 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 · 865049