Molecule card · MolClass #38619
4248841
4248841: 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
- 4248841Mitochondrial Fusion · compound_name
- MolClass ID
- 38619
- InChIKey
- FPZXFUSEVPXEHI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Cn3ncc2C(=O)Oc1ccccc1c23)NC4CC4
- Standard InChI
- InChI=1S/C15H13N3O3/c19-13(17-9-5-6-9)8-18-14-10-3-1-2-4-12(10)21-15(20)11(14)7-16-18/h1-4,7,9H,5-6,8H2,(H,17,19)
- Stored Murcko scaffold
- n1cc2[CH]Oc3ccccc3-c2n1C[CH]NC4CC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.822
- 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 · 4248841