Molecule card · MolClass #44511
14724714
14724714: 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
- 14724714Mitochondrial Fusion · compound_name
- MolClass ID
- 44511
- InChIKey
- FLCZFVVGWSGOOB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(OCC(=O)Nn1cnnc1)c(c2)Br
- Standard InChI
- InChI=1S/C11H11BrN4O2/c1-8-2-3-10(9(12)4-8)18-5-11(17)15-16-6-13-14-7-16/h2-4,6-7H,5H2,1H3,(H,15,17)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]COc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.135 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.922
- 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 · 14724714