Molecule card · MolClass #39795
24786103
24786103: 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
- 24786103Mitochondrial Fusion · compound_name
- MolClass ID
- 39795
- InChIKey
- QJCGTUZYPOVVEB-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1ccncn1)N(C)Cc3nc(Cc2ccccc2(F))no3
- Standard InChI
- InChI=1S/C17H18FN5O/c1-12(15-7-8-19-11-20-15)23(2)10-17-21-16(22-24-17)9-13-5-3-4-6-14(13)18/h3-8,11-12H,9-10H2,1-2H3
- Stored Murcko scaffold
- n1cnc(cc1)CNCc2nc(no2)Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.92
- 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 · 24786103