Molecule card · MolClass #36972
17403060
17403060: 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
- 17403060Mitochondrial Fusion · compound_name
- MolClass ID
- 36972
- InChIKey
- RVMYCAZASWLQEQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)N3NC(=O)c2cccnc23
- Standard InChI
- InChI=1S/C13H11N3O/c1-9-4-6-10(7-5-9)16-12-11(13(17)15-16)3-2-8-14-12/h2-8H,1H3,(H,15,17)
- Stored Murcko scaffold
- n1cccc2[CH]NN(c3ccccc3)c12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.46
- 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 · 17403060