Molecule card · MolClass #43711
4242193
4242193: 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
- 4242193Mitochondrial Fusion · compound_name
- MolClass ID
- 43711
- InChIKey
- FGAWPUPFDACDGH-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc3ncnn3(c(O)c2(NC(=O)CCc1ccccc1))
- Standard InChI
- InChI=1S/C15H15N5O2/c1-10-13(14(22)20-15(18-10)16-9-17-20)19-12(21)8-7-11-5-3-2-4-6-11/h2-6,9,22H,7-8H2,1H3,(H,19,21)
- Stored Murcko scaffold
- n1cnn2cc(cnc12)N[CH]CCc3ccccc3
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
- 6
- 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
- 92.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.312 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.7
- 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 · 4242193