Molecule card · MolClass #38480
14739577
14739577: 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
- 14739577Mitochondrial Fusion · compound_name
- MolClass ID
- 38480
- InChIKey
- JCRUYLYCFWCHJV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c4cn(c2ccccc2)c3[n+]4(CCCS3)
- Standard InChI
- InChI=1S/C19H19N2S/c1-15-8-10-16(11-9-15)18-14-21(17-6-3-2-4-7-17)19-20(18)12-5-13-22-19/h2-4,6-11,14H,5,12-13H2,1H3/q+1
- Stored Murcko scaffold
- S1c2n(cc(-c3ccccc3)[n+]2CCC1)-c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.434 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.057
- 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 · 14739577