Molecule card · MolClass #49944
22412654
22412654: 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
- 22412654Mitochondrial Fusion · compound_name
- MolClass ID
- 49944
- InChIKey
- JNTXWKHYXKFUPD-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(csc1(C))c3nnc(n3(Cc2ccccc2))S
- Standard InChI
- InChI=1S/C15H15N3S2/c1-10-11(2)20-9-13(10)14-16-17-15(19)18(14)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,17,19)
- Stored Murcko scaffold
- n1nc(-c2cscc2)n(c1)Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.432 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.791
- 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 · 22412654