Molecule card · MolClass #51394
14746132
14746132: 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
- 14746132Mitochondrial Fusion · compound_name
- MolClass ID
- 51394
- InChIKey
- YLHNXEFEKGQGGX-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)N2CCN(CC2)Cc3ccc(o3)c4ccccc4Cl
- Standard InChI
- InChI=1S/C21H21ClN2O/c22-20-9-5-4-8-19(20)21-11-10-18(25-21)16-23-12-14-24(15-13-23)17-6-2-1-3-7-17/h1-11H,12-16H2
- Stored Murcko scaffold
- o1c(ccc1CN2CCN(c3ccccc3)CC2)-c4ccccc4
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
- 19.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.858 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 · 14746132