Molecule card · MolClass #35920
3711946
3711946: 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
- 3711946Mitochondrial Fusion · compound_name
- MolClass ID
- 35920
- InChIKey
- DZDOSPZIHMCCOR-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC1C(=O)OCC2=CC(=O)N3C=C(C=CC3(=N2))Br
- Standard InChI
- InChI=1S/C14H13BrN2O3/c1-8-4-11(8)14(19)20-7-10-5-13(18)17-6-9(15)2-3-12(17)16-10/h2-3,5-6,8,11H,4,7H2,1H3
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]C=C1CO[CH]C3CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.169 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.305
- 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 · 3711946