Molecule card · MolClass #44752
7965691
7965691: 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
- 7965691Mitochondrial Fusion · compound_name
- MolClass ID
- 44752
- InChIKey
- PLAZEIXTUPQVGE-UHFFFAOYSA-N
- Canonical SMILES
- CN(C(=O)CSc2nc(N)nn2(c1ccccc1))c3ccccc3
- Standard InChI
- InChI=1S/C17H17N5OS/c1-21(13-8-4-2-5-9-13)15(23)12-24-17-19-16(18)20-22(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,18,20)
- Stored Murcko scaffold
- n1cnn(c1SC[CH][N]c2ccccc2)-c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.339
- 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 · 7965691