Molecule card · MolClass #51035
17412902
17412902: 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
- 17412902Mitochondrial Fusion · compound_name
- MolClass ID
- 51035
- InChIKey
- SECKQDLXVSJOAO-SSDVNMTOSA-N
- Canonical SMILES
- Cc1ccc(cc1)NCC(=O)NN=Cc2cc3ccccc3(nc2Cl)
- Standard InChI
- InChI=1S/C19H17ClN4O/c1-13-6-8-16(9-7-13)21-12-18(25)24-22-11-15-10-14-4-2-3-5-17(14)23-19(15)20/h2-11,21H,12H2,1H3,(H,24,25)/b22-11+
- Stored Murcko scaffold
- N(=Cc1cnc2ccccc2c1)N[CH]CNc3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 66.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.818 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.658
- 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 · 17412902