Molecule card · MolClass #38753
24799544
24799544: 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
- 24799544Mitochondrial Fusion · compound_name
- MolClass ID
- 38753
- InChIKey
- VVXVXPPXCQDTJB-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCCC1))Cc3cc4OCOc4(cc3Cl)
- Standard InChI
- InChI=1S/C20H29ClN2O3/c21-18-11-20-19(25-14-26-20)10-15(18)12-22-7-8-23(17(13-22)6-9-24)16-4-2-1-3-5-16/h10-11,16-17,24H,1-9,12-14H2
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)CN3CCN(CC3)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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.91 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.041
- 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 · 24799544