Molecule card · MolClass #38986
24785350
24785350: 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
- 24785350Mitochondrial Fusion · compound_name
- MolClass ID
- 38986
- InChIKey
- OIVZGTZREZTGCT-UHFFFAOYSA-N
- Canonical SMILES
- O=C4C(Nc1ccccc1)=C2CCCC=C2N4(c3ccccc3)
- Standard InChI
- InChI=1S/C20H18N2O/c23-20-19(21-15-9-3-1-4-10-15)17-13-7-8-14-18(17)22(20)16-11-5-2-6-12-16/h1-6,9-12,14,21H,7-8,13H2
- Stored Murcko scaffold
- c1ccc(cc1)Nc2cn(-c3ccccc3)c4=CCCCc24
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
- 3
- 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
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.33
- 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 · 24785350