Molecule card · MolClass #49160
24821740
24821740: 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
- 24821740Mitochondrial Fusion · compound_name
- MolClass ID
- 49160
- InChIKey
- GBPWUFJZUMIZHY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)Cn3nc(c2c(C)cc(C)nc23)n4cccc4
- Standard InChI
- InChI=1S/C20H20N4/c1-14-7-6-8-17(11-14)13-24-19-18(15(2)12-16(3)21-19)20(22-24)23-9-4-5-10-23/h4-12H,13H2,1-3H3
- Stored Murcko scaffold
- n1cccc2c1n(nc2-n3cccc3)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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.32
- 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 · 24821740