Molecule card · MolClass #51736
14729073
14729073: 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
- 14729073Mitochondrial Fusion · compound_name
- MolClass ID
- 51736
- InChIKey
- HDCLADNWRUKRNL-JJIBRWJFSA-N
- Canonical SMILES
- CON=C(CN2N=CC(NC1CCCCC1)=C(C2(=O))Br)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H22BrClN4O2/c1-27-24-17(13-7-9-14(21)10-8-13)12-25-19(26)18(20)16(11-22-25)23-15-5-3-2-4-6-15/h7-11,15,23H,2-6,12H2,1H3/b24-17+
- Stored Murcko scaffold
- N1=CC(=C[CH]N1C[CH]c2ccccc2)NC3CCCCC3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 453.761 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.571
- 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 · 14729073