Molecule card · MolClass #37331
7973819
7973819: 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
- 7973819Mitochondrial Fusion · compound_name
- MolClass ID
- 37331
- InChIKey
- HJPMCRSXEXTVRQ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc5c(c1)ccc4nnc(c2ccc3OCOc3(c2))n45
- Standard InChI
- InChI=1S/C17H11N3O2/c1-2-4-13-11(3-1)6-8-16-18-19-17(20(13)16)12-5-7-14-15(9-12)22-10-21-14/h1-9H,10H2
- Stored Murcko scaffold
- n1nc(-c2ccc3OCOc3c2)n4c1ccc5ccccc54
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.289 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.569
- 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 · 7973819