Molecule card · MolClass #50826
17432197
17432197: 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
- 17432197Mitochondrial Fusion · compound_name
- MolClass ID
- 50826
- InChIKey
- JYMNKQGRBJXPFR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NCc4nc2ccccc2n4(CCOc3ccccc3)
- Standard InChI
- InChI=1S/C23H23N3O/c1-18-11-13-19(14-12-18)24-17-23-25-21-9-5-6-10-22(21)26(23)15-16-27-20-7-3-2-4-8-20/h2-14,24H,15-17H2,1H3
- Stored Murcko scaffold
- n1c2ccccc2n(c1CNc3ccccc3)CCOc4ccccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.151
- 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 · 17432197