Molecule card · MolClass #50610
17507386
17507386: 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
- 17507386Mitochondrial Fusion · compound_name
- MolClass ID
- 50610
- InChIKey
- QYYVLDGAEAKTDX-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC3(CC1)(Cc2ccccc2C(N3)=S)
- Standard InChI
- InChI=1S/C14H17NS/c16-13-12-7-3-2-6-11(12)10-14(15-13)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16)
- Stored Murcko scaffold
- c1ccc2c(c1)[CH]NC3(C2)CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.358 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.608
- 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 · 17507386