Molecule card · MolClass #43485
24831024
24831024: 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
- 24831024Mitochondrial Fusion · compound_name
- MolClass ID
- 43485
- InChIKey
- DJHFIUQDNXTTGC-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(N=C(NC1CC1)c2ccccc2)n(n3)c4ccccc4
- Standard InChI
- InChI=1S/C20H20N4/c1-15-14-19(24(23-15)18-10-6-3-7-11-18)22-20(21-17-12-13-17)16-8-4-2-5-9-16/h2-11,14,17H,12-13H2,1H3,(H,21,22)
- Stored Murcko scaffold
- n1ccc(N=C(NC2CC2)c3ccccc3)n1-c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.384
- 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 · 24831024