Molecule card · MolClass #43604
7973942
7973942: 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
- 7973942Mitochondrial Fusion · compound_name
- MolClass ID
- 43604
- InChIKey
- LQFCDVIWFLDPRP-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)C1=NC(=NP(=N1)(N2CCOCC2)N3CCOCC3)C(F)(F)F
- Standard InChI
- InChI=1S/C12H16F6N5O2P/c13-11(14,15)9-19-10(12(16,17)18)21-26(20-9,22-1-5-24-6-2-22)23-3-7-25-8-4-23/h1-8H2
- Stored Murcko scaffold
- n1cnp(nc1)(N2CCOCC2)N3CCOCC3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 407.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.191
- 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 · 7973942