Molecule card · MolClass #36427
17510269
17510269: 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
- 17510269Mitochondrial Fusion · compound_name
- MolClass ID
- 36427
- InChIKey
- AMBSMJGRIPOLHJ-GDWDSQERSA-N
- Canonical SMILES
- CSC4=NSC3=NC(=O)C(=CC1=COc2ccccc2(C1(=O)))C(=N)N34
- Standard InChI
- InChI=1S/C16H10N4O3S2/c1-24-16-19-25-15-18-14(22)10(13(17)20(15)16)6-8-7-23-11-5-3-2-4-9(11)12(8)21/h2-7,17H,1H3/b10-6-,17-13?
- Stored Murcko scaffold
- N=1SC2=N[CH]C(=CC3=COc4ccccc4[CH]3)[CH]N2C1
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.
- 24812948#30299
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 145.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.203
- 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 · 17510269