Molecule card · MolClass #38214
24808981
24808981: 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
- 24808981Mitochondrial Fusion · compound_name
- MolClass ID
- 38214
- InChIKey
- DLOKTODMFVLVJH-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)CSc2nnc1c3ccccc3(nc(n12)C(C)(C)C)
- Standard InChI
- InChI=1S/C16H18N4OS/c1-10(21)9-22-15-19-18-13-11-7-5-6-8-12(11)17-14(20(13)15)16(2,3)4/h5-8H,9H2,1-4H3
- Stored Murcko scaffold
- n1nc2c3ccccc3ncn2c1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.285
- 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 · 24808981