Molecule card · MolClass #48338
24788899
24788899: 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
- 24788899Mitochondrial Fusion · compound_name
- MolClass ID
- 48338
- InChIKey
- LNTLPNPNMSADQK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)n1c2c(c(C)c(C)s2)C(=O)NN
- Standard InChI
- InChI=1S/C13H17N3OS/c1-7-5-6-8(2)16(7)13-11(12(17)15-14)9(3)10(4)18-13/h5-6H,14H2,1-4H3,(H,15,17)
- Stored Murcko scaffold
- s1cccc1-n2cccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.947
- 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 · 24788899