Molecule card · MolClass #37920
865379
865379: 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
- 865379Mitochondrial Fusion · compound_name
- MolClass ID
- 37920
- InChIKey
- XRNWNZXLMNEECB-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=S)SC(N(O)C(=O)NC1CCCCC1)C2(C)(C)
- Standard InChI
- InChI=1S/C13H23N3O2S2/c1-13(2)10(20-12(19)15(13)3)16(18)11(17)14-9-7-5-4-6-8-9/h9-10,18H,4-8H2,1-3H3,(H,14,17)
- Stored Murcko scaffold
- [N]1[CH]SC([N][CH]NC2CCCCC2)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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.473 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.127
- 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 · 865379