Molecule card · MolClass #44083
865647
865647: 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
- 865647Mitochondrial Fusion · compound_name
- MolClass ID
- 44083
- InChIKey
- FBQLFFAFWFZPRG-UHFFFAOYSA-N
- Canonical SMILES
- CC=3Nc1ncnn1C(c2cccnc2)C=3C(=O)NCc4ccccc4
- Standard InChI
- InChI=1S/C19H18N6O/c1-13-16(18(26)21-10-14-6-3-2-4-7-14)17(15-8-5-9-20-11-15)25-19(24-13)22-12-23-25/h2-9,11-12,17H,10H2,1H3,(H,21,26)(H,22,23,24)
- Stored Murcko scaffold
- n1cccc(c1)C2C(=CNc3ncnn32)[CH]NCc4ccccc4
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
- 84.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.425
- 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 · 865647