Molecule card · MolClass #37378
24799061
24799061: 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
- 24799061Mitochondrial Fusion · compound_name
- MolClass ID
- 37378
- InChIKey
- PFHYHNMNKSHJTL-UVFQYZLESA-N
- Canonical SMILES
- COc1ccccc1N4CC3CC(c2ccco2)N5CCCC35(C4(=O))
- Standard InChI
- InChI=1S/C20H22N2O3/c1-24-17-7-3-2-6-15(17)21-13-14-12-16(18-8-4-11-25-18)22-10-5-9-20(14,22)19(21)23/h2-4,6-8,11,14,16H,5,9-10,12-13H2,1H3/t14-,16-,20-/m0/s1
- Stored Murcko scaffold
- o1cccc1C2N3CCCC43[CH]N(c5ccccc5)CC4C2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.834
- 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 · 24799061