Molecule card · MolClass #51681
14731308
14731308: 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
- 14731308Mitochondrial Fusion · compound_name
- MolClass ID
- 51681
- InChIKey
- MDSODQQABSRCGF-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCC5=Nc1ccccc1C(=O)N5(NC(=O)C2=C(O)c4cccc3CCCN(C2(=O))c34)
- Standard InChI
- InChI=1S/C27H28N4O4/c1-2-3-4-5-15-21-28-20-14-7-6-12-18(20)26(34)31(21)29-25(33)22-24(32)19-13-8-10-17-11-9-16-30(23(17)19)27(22)35/h6-8,10,12-14,32H,2-5,9,11,15-16H2,1H3,(H,29,33)
- Stored Murcko scaffold
- N1=CN([CH]c2ccccc12)N[CH]C3=Cc4cccc5c4N([CH]3)CCC5
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 472.537 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.213
- 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 · 14731308