Molecule card · MolClass #37140
7968984
7968984: 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
- 7968984Mitochondrial Fusion · compound_name
- MolClass ID
- 37140
- InChIKey
- SOWFAWPAFCZMPR-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(CCNC(=O)c1cnn2ccccc12)c(OC)c3(OC)
- Standard InChI
- InChI=1S/C19H21N3O4/c1-24-16-8-7-13(17(25-2)18(16)26-3)9-10-20-19(23)14-12-21-22-11-5-4-6-15(14)22/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)
- Stored Murcko scaffold
- n1cc([CH]NCCc2ccccc2)c3ccccn13
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.248
- 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 · 7968984