Molecule card · MolClass #51843
14726468
14726468: 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
- 14726468Mitochondrial Fusion · compound_name
- MolClass ID
- 51843
- InChIKey
- OGFCBIAVPJCCDX-UHFFFAOYSA-N
- Canonical SMILES
- C1CCc3c(C1)nc2cc(nn2c3N4CCN(CC4)c5cnccn5)c6cccc(c6)Cl
- Standard InChI
- InChI=1S/C24H24ClN7/c25-18-5-3-4-17(14-18)21-15-22-28-20-7-2-1-6-19(20)24(32(22)29-21)31-12-10-30(11-13-31)23-16-26-8-9-27-23/h3-5,8-9,14-16H,1-2,6-7,10-13H2
- Stored Murcko scaffold
- n1ccnc(c1)N2CCN(c3c4c(nc5cc(nn53)-c6ccccc6)CCCC4)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 62.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 445.948 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.149
- 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 · 14726468