Molecule card · MolClass #50486
17511207
17511207: 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
- 17511207Mitochondrial Fusion · compound_name
- MolClass ID
- 50486
- InChIKey
- KLKTZJFZTOJGSK-ZVHZXABRSA-N
- Canonical SMILES
- C=CCc3cccc(C=NNC(=O)CNc2cccc1ccccc12)c3(O)
- Standard InChI
- InChI=1S/C22H21N3O2/c1-2-7-17-10-5-11-18(22(17)27)14-24-25-21(26)15-23-20-13-6-9-16-8-3-4-12-19(16)20/h2-6,8-14,23,27H,1,7,15H2,(H,25,26)/b24-14+
- Stored Murcko scaffold
- N(=Cc1ccccc1)N[CH]CNc2cccc3ccccc32
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.349
- 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 · 17511207