Molecule card · MolClass #39053
24785810
24785810: 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
- 24785810Mitochondrial Fusion · compound_name
- MolClass ID
- 39053
- InChIKey
- UQVOAJKWJYUJBP-UHFFFAOYSA-N
- Canonical SMILES
- CCn4cc(CNC(=O)CC3C(=O)NCCN3(CC(c1ccccc1)c2ccccc2))cn4
- Standard InChI
- InChI=1S/C26H31N5O2/c1-2-31-18-20(17-29-31)16-28-25(32)15-24-26(33)27-13-14-30(24)19-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-18,23-24H,2,13-16,19H2,1H3,(H,27,33)(H,28,32)
- Stored Murcko scaffold
- n1cc(c[nH]1)CN[CH]CC2[CH]NCCN2CC(c3ccccc3)c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 445.558 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.479
- 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 · 24785810