Molecule card · MolClass #44235
865932
865932: 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
- 865932Mitochondrial Fusion · compound_name
- MolClass ID
- 44235
- InChIKey
- KUOKMTSXPOGKRP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)C3C(=C(C)Nc2ncnn23)C(=O)NCc4ccccc4
- Standard InChI
- InChI=1S/C19H19N5O2/c1-12-8-9-15(26-12)17-16(13(2)23-19-21-11-22-24(17)19)18(25)20-10-14-6-4-3-5-7-14/h3-9,11,17H,10H2,1-2H3,(H,20,25)(H,21,22,23)
- Stored Murcko scaffold
- n1cnn2c1NC=C([CH]NCc3ccccc3)C2c4occc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.61
- 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 · 865932