Molecule card · MolClass #51471
14741735
14741735: 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
- 14741735Mitochondrial Fusion · compound_name
- MolClass ID
- 51471
- InChIKey
- IBAJVZQIEQKVFA-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN(CC1)c3cc(nc4c(c2ccccc2)c(C)nn34)C(C)(C)C
- Standard InChI
- InChI=1S/C23H31N5/c1-6-26-12-14-27(15-13-26)20-16-19(23(3,4)5)24-22-21(17(2)25-28(20)22)18-10-8-7-9-11-18/h7-11,16H,6,12-15H2,1-5H3
- Stored Murcko scaffold
- n1ccc(n2ncc(-c3ccccc3)c12)N4CCNCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.527 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.763
- 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 · 14741735