Molecule card · MolClass #51251
17387684
17387684: 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
- 17387684Mitochondrial Fusion · compound_name
- MolClass ID
- 51251
- InChIKey
- QKXHMCGQQAEFLP-UHFFFAOYSA-N
- Canonical SMILES
- CCCCn1c(nnc1S)c2csc3CC(C)CCc23
- Standard InChI
- InChI=1S/C15H21N3S2/c1-3-4-7-18-14(16-17-15(18)19)12-9-20-13-8-10(2)5-6-11(12)13/h9-10H,3-8H2,1-2H3,(H,17,19)
- Stored Murcko scaffold
- n1nc([nH]c1)-c2csc3c2CCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.48 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.512
- 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 · 17387684