Molecule card · MolClass #51429
14742663
14742663: 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
- 14742663Mitochondrial Fusion · compound_name
- MolClass ID
- 51429
- InChIKey
- DGDOAYXAWGZZMH-UHFFFAOYSA-N
- Canonical SMILES
- Cc3c(CN(C)C)c1c4cc(ccc4(C(=O)c1n3(Cc2ccccc2)))Br
- Standard InChI
- InChI=1S/C22H21BrN2O/c1-14-19(13-24(2)3)20-18-11-16(23)9-10-17(18)22(26)21(20)25(14)12-15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)Cn2ccc3-c4ccccc4[CH]c32
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
- 2
- 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
- 25.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.319 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.976
- 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 · 14742663