Molecule card · MolClass #50570
17509065
17509065: 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
- 17509065Mitochondrial Fusion · compound_name
- MolClass ID
- 50570
- InChIKey
- YXWQAIXEVLWLDJ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccccc1c3c(C#N)c(N)nc2c4ccccc4(CCc23)
- Standard InChI
- InChI=1S/C21H17N3O/c1-25-18-9-5-4-8-15(18)19-16-11-10-13-6-2-3-7-14(13)20(16)24-21(23)17(19)12-22/h2-9H,10-11H2,1H3,(H2,23,24)
- Stored Murcko scaffold
- n1ccc(-c2ccccc2)c3c1-c4ccccc4CC3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.401
- 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 · 17509065