Molecule card · MolClass #42567
7977918
7977918: 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
- 7977918Mitochondrial Fusion · compound_name
- MolClass ID
- 42567
- InChIKey
- ZBGHVAZIEPSYIM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)NC(=O)Nn2c(C)nnc2(C)
- Standard InChI
- InChI=1S/C12H15N5O3S/c1-8-4-6-11(7-5-8)21(19,20)16-12(18)15-17-9(2)13-14-10(17)3/h4-7H,1-3H3,(H2,15,16,18)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]NSc2ccccc2
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
- 7
- 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
- 114.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.346 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.742
- 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 · 7977918