Molecule card · MolClass #37740
24798799
24798799: 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
- 24798799Mitochondrial Fusion · compound_name
- MolClass ID
- 37740
- InChIKey
- UGUOATFCAKDZNL-MPYJOUPCSA-N
- Canonical SMILES
- Cc1ccccc1c2cccc(c2)C4CC6CN(Cc3cccnc3)C(=O)C56(CCCN45)
- Standard InChI
- InChI=1S/C28H29N3O/c1-20-7-2-3-11-25(20)22-9-4-10-23(15-22)26-16-24-19-30(18-21-8-5-13-29-17-21)27(32)28(24)12-6-14-31(26)28/h2-5,7-11,13,15,17,24,26H,6,12,14,16,18-19H2,1H3/t24-,26-,28-/m0/s1
- Stored Murcko scaffold
- n1cccc(c1)CN2[CH]C34N(CCC3)C(c5cccc(c5)-c6ccccc6)CC4C2
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
- 36.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 423.55 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.491
- 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 · 24798799