Molecule card · MolClass #45872
24790995
24790995: 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
- 24790995Mitochondrial Fusion · compound_name
- MolClass ID
- 45872
- InChIKey
- SOTGJZHAXJTVBA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c2nc3nc(C)c(C)cc3(c(N)c2(c1))
- Standard InChI
- InChI=1S/C16H17N3/c1-8-5-10(3)15-12(6-8)14(17)13-7-9(2)11(4)18-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19)
- Stored Murcko scaffold
- n1cccc2cc3ccccc3nc12
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.
- Cc1cc(C)c2c(N)c3ccccc3nc2n1#150934
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.826
- 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 · 24790995