Molecule card · MolClass #35913
24803873
24803873: 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
- 24803873Mitochondrial Fusion · compound_name
- MolClass ID
- 35913
- InChIKey
- WLJXAUPQDHDBSH-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(CC(=O)c4cnc2nc1ccccc1n2c4(C3))
- Standard InChI
- InChI=1S/C16H15N3O/c1-16(2)7-13-10(14(20)8-16)9-17-15-18-11-5-3-4-6-12(11)19(13)15/h3-6,9H,7-8H2,1-2H3
- Stored Murcko scaffold
- n1cc2[CH]CCCc2n3c1nc4ccccc43
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.31 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.361
- 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 · 24803873