Molecule card · MolClass #44888
22401347
22401347: 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
- 22401347Mitochondrial Fusion · compound_name
- MolClass ID
- 44888
- InChIKey
- SGKCULACOSUZRC-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc2c1C=CC(=Cn1c3nc4ccccc4(nc23))NC(=O)c5ccc(F)cc5
- Standard InChI
- InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)
- Stored Murcko scaffold
- n1c2ccccc2nc3c1cc4C=CC(=Cn43)N[CH]c5ccccc5
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.221
- 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 · 22401347