Molecule card · MolClass #42700
7969397
7969397: 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
- 7969397Mitochondrial Fusion · compound_name
- MolClass ID
- 42700
- InChIKey
- PIZBPGIHRKTAKC-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)c4cc(C(=O)N1CCCC1)n(C)c4(c2ccccc23)
- Standard InChI
- InChI=1S/C18H19N3O2/c1-19-15(18(23)21-9-5-6-10-21)11-13-16(19)12-7-3-4-8-14(12)20(2)17(13)22/h3-4,7-8,11H,5-6,9-10H2,1-2H3
- Stored Murcko scaffold
- n1cc2cc([CH]N3CCCC3)[nH]c2c4ccccc14
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.31
- 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 · 7969397