Molecule card · MolClass #46626
847090
847090: 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
- 847090Mitochondrial Fusion · compound_name
- MolClass ID
- 46626
- InChIKey
- OZDPLNXCDXGQRB-UHFFFAOYSA-N
- Canonical SMILES
- CCc3nc(NCCc1ccccn1)c4nnn(Cc2ccccc2(F))c4(n3)
- Standard InChI
- InChI=1S/C20H20FN7/c1-2-17-24-19(23-12-10-15-8-5-6-11-22-15)18-20(25-17)28(27-26-18)13-14-7-3-4-9-16(14)21/h3-9,11H,2,10,12-13H2,1H3,(H,23,24,25)
- Stored Murcko scaffold
- n1nn(c2ncnc(NCCc3ncccc3)c12)Cc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.957
- 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 · 847090