Molecule card · MolClass #51675
14731838
14731838: 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
- 14731838Mitochondrial Fusion · compound_name
- MolClass ID
- 51675
- InChIKey
- FCLYWPVTPIFLNH-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCOc3ccc4OC(=O)C2=C(CCCN2(C(=O)CN1CCCC(C1)C(=O)OCC))c4(c3)
- Standard InChI
- InChI=1S/C27H36N2O6/c1-3-5-6-15-34-20-11-12-23-22(16-20)21-10-8-14-29(25(21)27(32)35-23)24(30)18-28-13-7-9-19(17-28)26(31)33-4-2/h11-12,16,19H,3-10,13-15,17-18H2,1-2H3
- Stored Murcko scaffold
- O1[CH]C2=C(c3ccccc13)CCCN2[CH]CN4CCCCC4
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
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 484.586 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.673
- 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 · 14731838