Molecule card · MolClass #51057
17412543
17412543: 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
- 17412543Mitochondrial Fusion · compound_name
- MolClass ID
- 51057
- InChIKey
- ZDJIVOYTTMIHIB-UHFFFAOYSA-N
- Canonical SMILES
- C1CCCC(CC1)NC(NCCc2ccccc2)=S
- Standard InChI
- InChI=1S/C16H24N2S/c19-16(18-15-10-6-1-2-7-11-15)17-13-12-14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2,(H2,17,18,19)
- Stored Murcko scaffold
- c1ccc(cc1)CCN[CH]NC2CCCCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.442 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.39
- 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 · 17412543