Molecule card · MolClass #39398
24784235
24784235: 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
- 24784235Mitochondrial Fusion · compound_name
- MolClass ID
- 39398
- InChIKey
- KCTWTNRFYVJENE-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(ccc3(CN2CCN(C1CCCC1)C(CCO)C2))n4cccn4
- Standard InChI
- InChI=1S/C22H32N4O/c1-18-15-21(26-11-4-10-23-26)8-7-19(18)16-24-12-13-25(20-5-2-3-6-20)22(17-24)9-14-27/h4,7-8,10-11,15,20,22,27H,2-3,5-6,9,12-14,16-17H2,1H3
- Stored Murcko scaffold
- n1cccn1-c2ccc(cc2)CN3CCN(CC3)C4CCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.939
- 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 · 24784235