Molecule card · MolClass #41660
7969515
7969515: 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
- 7969515Mitochondrial Fusion · compound_name
- MolClass ID
- 41660
- InChIKey
- AUYFWUOHXYLSEW-UHFFFAOYSA-N
- Canonical SMILES
- C=C(C)Cn3c4ccccc4(nc3(C2CC(=O)N(Cc1ccccc1)C2))
- Standard InChI
- InChI=1S/C22H23N3O/c1-16(2)13-25-20-11-7-6-10-19(20)23-22(25)18-12-21(26)24(15-18)14-17-8-4-3-5-9-17/h3-11,18H,1,12-15H2,2H3
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1C3C[CH]N(Cc4ccccc4)C3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.995
- 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 · 7969515