Molecule card · MolClass #37850
4243691
4243691: 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
- 4243691Mitochondrial Fusion · compound_name
- MolClass ID
- 37850
- InChIKey
- UTVRUFIXABFXAE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)C3N4CCCC4(C(=O)N3(c2ccc(c(c2)Cl)Cl))
- Standard InChI
- InChI=1S/C17H16Cl2N2O2/c1-10-4-7-15(23-10)16-20-8-2-3-14(20)17(22)21(16)11-5-6-12(18)13(19)9-11/h4-7,9,14,16H,2-3,8H2,1H3
- Stored Murcko scaffold
- o1cccc1C2N([CH]C3N2CCC3)c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.469
- 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 · 4243691