Molecule card · MolClass #51021
17411271
17411271: 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
- 17411271Mitochondrial Fusion · compound_name
- MolClass ID
- 51021
- InChIKey
- XOIGVRIUOWZAMH-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)C(=O)Nc1ccnc(n1)c2cccnc2
- Standard InChI
- InChI=1S/C14H16N4O/c1-14(2,3)13(19)18-11-6-8-16-12(17-11)10-5-4-7-15-9-10/h4-9H,1-3H3,(H,16,17,18,19)
- Stored Murcko scaffold
- n1cccc(c1)-c2ncccn2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 256.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.235
- 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 · 17411271