Molecule card · MolClass #44919
14742665
14742665: 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
- 14742665Mitochondrial Fusion · compound_name
- MolClass ID
- 44919
- InChIKey
- FCEWBKOCGGXOCG-UHFFFAOYSA-N
- Canonical SMILES
- OC=1CCn4c5ccccc5(nc4(C=1C(=O)Nc2ccc(cc2)c3ccccc3))
- Standard InChI
- InChI=1S/C24H19N3O2/c28-21-14-15-27-20-9-5-4-8-19(20)26-23(27)22(21)24(29)25-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,28H,14-15H2,(H,25,29)
- Stored Murcko scaffold
- n1c2ccccc2n3c1C([CH]Nc4ccc(cc4)-c5ccccc5)=CCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.947
- 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 · 14742665