Molecule card · MolClass #35599
4262240
4262240: 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
- 4262240Mitochondrial Fusion · compound_name
- MolClass ID
- 35599
- InChIKey
- KCRYRGHFKYXPRM-UHFFFAOYSA-N
- Canonical SMILES
- ON3C(CC2(O)(C3(CCc1c2(no[n+]1([O-])))))c4ccccc4
- Standard InChI
- InChI=1S/C14H15N3O4/c18-14-8-11(9-4-2-1-3-5-9)16(19)12(14)7-6-10-13(14)15-21-17(10)20/h1-5,11-12,18-19H,6-8H2
- Stored Murcko scaffold
- n1o[nH+]c2c1C3CC(NC3CC2)c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.062
- 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 · 4262240