Molecule card · MolClass #48368
24815836
24815836: 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
- 24815836Mitochondrial Fusion · compound_name
- MolClass ID
- 48368
- InChIKey
- OXIJCRPUIHNUFY-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(N)=C(C(=O)N(C)C1(=O))S(=O)(=O)N2CCN(CC2)Cc3ccccc3
- Standard InChI
- InChI=1S/C17H23N5O4S/c1-19-15(18)14(16(23)20(2)17(19)24)27(25,26)22-10-8-21(9-11-22)12-13-6-4-3-5-7-13/h3-7H,8-12,18H2,1-2H3
- Stored Murcko scaffold
- n1cncc(SN2CCN(Cc3ccccc3)CC2)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.
- 7971110#46752
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- 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
- 115.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 393.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.338
- 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 · 24815836