Molecule card · MolClass #38229
14727621
14727621: 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
- 14727621Mitochondrial Fusion · compound_name
- MolClass ID
- 38229
- InChIKey
- YKVBIJZNYSXOSP-UHFFFAOYSA-N
- Canonical SMILES
- CCCSc3nc1c(O)nnc(O)c1n3(Cc2ccccc2)
- Standard InChI
- InChI=1S/C15H16N4O2S/c1-2-8-22-15-16-11-12(14(21)18-17-13(11)20)19(15)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,20)(H,18,21)
- Stored Murcko scaffold
- n1ncc2c(ncn2Cc3ccccc3)c1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.361
- 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 · 14727621