Molecule card · MolClass #39833
24790009
24790009: 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
- 24790009Mitochondrial Fusion · compound_name
- MolClass ID
- 39833
- InChIKey
- ZDPHOZNQZJFVHY-UHFFFAOYSA-N
- Canonical SMILES
- CC4=C(NC(=O)CSc2nnc(O)n2(c1ccccc1))C(=O)N(c3ccccc3)N4(C)
- Standard InChI
- InChI=1S/C21H20N6O3S/c1-14-18(19(29)27(25(14)2)16-11-7-4-8-12-16)22-17(28)13-31-21-24-23-20(30)26(21)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,22,28)(H,23,30)
- Stored Murcko scaffold
- n1nc(SC[CH]NC2=CNN([CH]2)c3ccccc3)n(c1)-c4ccccc4
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 436.489 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.283
- 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 · 24790009