Molecule card · MolClass #40688
4252037
4252037: 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
- 4252037Mitochondrial Fusion · compound_name
- MolClass ID
- 40688
- InChIKey
- QTZYNGJXDMOVPP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1noc(C)c1S(=O)(=O)NC3=C(C)N(C)N(c2ccccc2)C3(=O)
- Standard InChI
- InChI=1S/C16H18N4O4S/c1-10-15(12(3)24-17-10)25(22,23)18-14-11(2)19(4)20(16(14)21)13-8-6-5-7-9-13/h5-9,18H,1-4H3
- Stored Murcko scaffold
- n1occ(SNC2=CNN([CH]2)c3ccccc3)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.
No other molecules currently have this stored scaffold.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.862
- 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 · 4252037