Molecule card · MolClass #42147
24825947
24825947: 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
- 24825947Mitochondrial Fusion · compound_name
- MolClass ID
- 42147
- InChIKey
- UKMQCOKBPIBVDN-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)NC(Nn2cnnc2)=S
- Standard InChI
- InChI=1S/C11H13N5S/c1-2-9-3-5-10(6-4-9)14-11(17)15-16-7-12-13-8-16/h3-8H,2H2,1H3,(H2,14,15,17)
- Stored Murcko scaffold
- n1ncn(c1)N[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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.276
- 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 · 24825947