Molecule card · MolClass #51715
14728889
14728889: 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
- 14728889Mitochondrial Fusion · compound_name
- MolClass ID
- 51715
- InChIKey
- YGMXIMZNJPPKHM-ZNVGPNBVSA-N
- Canonical SMILES
- CC4CCC3C(=O)N2C(CCC(C)C2(c1ccccc1Br))C(=O)N3C4c5ccccc5Br
- Standard InChI
- InChI=1S/C26H28Br2N2O2/c1-15-11-13-21-26(32)30-22(14-12-16(2)24(30)18-8-4-6-10-20(18)28)25(31)29(21)23(15)17-7-3-5-9-19(17)27/h3-10,15-16,21-24H,11-14H2,1-2H3/t15-,16-,21-,22-,23-,24-/m0/s1
- Stored Murcko scaffold
- c1ccc(cc1)C2N3[CH]C4N([CH]C3CCC2)C(c5ccccc5)CCC4
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
- 4
- 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
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 560.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.378
- 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 · 14728889