Molecule card · MolClass #37669
24830080
24830080: 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
- 24830080Mitochondrial Fusion · compound_name
- MolClass ID
- 37669
- InChIKey
- ANUPZHOTTNGHAV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C4N=C(N)Nc3nc2ccccc2n34
- Standard InChI
- InChI=1S/C16H15N5/c1-10-6-8-11(9-7-10)14-19-15(17)20-16-18-12-4-2-3-5-13(12)21(14)16/h2-9,14H,1H3,(H3,17,18,19,20)
- Stored Murcko scaffold
- N1=CNc2nc3ccccc3n2C1c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.28
- 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 · 24830080