Molecule card · MolClass #43724
14734603
14734603: 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
- 14734603Mitochondrial Fusion · compound_name
- MolClass ID
- 43724
- InChIKey
- OQDXGMJFUGDCTF-UHFFFAOYSA-N
- Canonical SMILES
- CN(CC(=O)Nn1cnnc1)S(=O)(=O)c2ccccc2
- Standard InChI
- InChI=1S/C11H13N5O3S/c1-15(7-11(17)14-16-8-12-13-9-16)20(18,19)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,17)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]CNSc2ccccc2
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.
- 14739532#45817
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- 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
- 105.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 295.319 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.86
- 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 · 14734603