Molecule card · MolClass #37690
24801465
24801465: 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
- 24801465Mitochondrial Fusion · compound_name
- MolClass ID
- 37690
- InChIKey
- KABRUIQEKSGTTQ-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)COC(=O)C(C)Nc1nnc(nc1(O))S
- Standard InChI
- InChI=1S/C10H16N4O3S/c1-5(2)4-17-9(16)6(3)11-7-8(15)12-10(18)14-13-7/h5-6H,4H2,1-3H3,(H,11,13)(H2,12,14,15,18)
- Stored Murcko scaffold
- n1nccnc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 136.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.326 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.798
- 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 · 24801465