Molecule card · MolClass #42799
3717323
3717323: 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
- 3717323Mitochondrial Fusion · compound_name
- MolClass ID
- 42799
- InChIKey
- HLACLZGLEPGQAU-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(Cc1ccccc1)c(c2C(=O)OC3CCOC3(=O))Cl
- Standard InChI
- InChI=1S/C16H15ClN2O4/c1-10-13(16(21)23-12-7-8-22-15(12)20)14(17)19(18-10)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
- Stored Murcko scaffold
- n1cc([CH]OC2[CH]OCC2)cn1Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.755 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.928
- 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 · 3717323