Molecule card · MolClass #41628
24783025
24783025: 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
- 24783025Mitochondrial Fusion · compound_name
- MolClass ID
- 41628
- InChIKey
- DDIAPZNZXPLMGL-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccccc4(Cn1cc(cn1)NC(=O)c2cc(on2)c3ccco3)
- Standard InChI
- InChI=1S/C19H16N4O3/c1-13-5-2-3-6-14(13)11-23-12-15(10-20-23)21-19(24)16-9-18(26-22-16)17-7-4-8-25-17/h2-10,12H,11H2,1H3,(H,21,24)
- Stored Murcko scaffold
- n1oc(cc1[CH]Nc2cnn(c2)Cc3ccccc3)-c4occc4
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.
- 24784473#46881
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.333
- 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 · 24783025