Molecule card · MolClass #37406
24785108
24785108: 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
- 24785108Mitochondrial Fusion · compound_name
- MolClass ID
- 37406
- InChIKey
- UMIKFDLHCKAHPX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN3CCN(CCCn2cccn2)CC3(CCO)
- Standard InChI
- InChI=1S/C20H30N4O/c1-18-4-6-19(7-5-18)16-23-14-13-22(17-20(23)8-15-25)10-3-12-24-11-2-9-21-24/h2,4-7,9,11,20,25H,3,8,10,12-17H2,1H3
- Stored Murcko scaffold
- n1cccn1CCCN2CCN(Cc3ccccc3)CC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.479 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.284
- 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 · 24785108