Molecule card · MolClass #51119
17406937
17406937: 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
- 17406937Mitochondrial Fusion · compound_name
- MolClass ID
- 51119
- InChIKey
- BNGHVKDSJPPSAZ-VCHYOVAHSA-N
- Canonical SMILES
- CC(=NNc2nc1CCCCc1s2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C15H16ClN3S/c1-10(11-6-8-12(16)9-7-11)18-19-15-17-13-4-2-3-5-14(13)20-15/h6-9H,2-5H2,1H3,(H,17,19)/b18-10+
- Stored Murcko scaffold
- N(=Cc1ccccc1)Nc2nc3c(s2)CCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.827 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.26
- 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 · 17406937