Molecule card · MolClass #50768
17432995
17432995: 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
- 17432995Mitochondrial Fusion · compound_name
- MolClass ID
- 50768
- InChIKey
- SNKVMUQVXNXFMQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(ccc2(OCC(=O)NCCCCc1ccccc1))Cl
- Standard InChI
- InChI=1S/C19H22ClNO2/c1-15-13-17(20)10-11-18(15)23-14-19(22)21-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-11,13H,5-6,9,12,14H2,1H3,(H,21,22)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]NCCCCc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.837 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.752
- 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 · 17432995