Molecule card · MolClass #44483
14730106
14730106: 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
- 14730106Mitochondrial Fusion · compound_name
- MolClass ID
- 44483
- InChIKey
- SFFJARIKISDPGV-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c1ccc(cc1)Oc2cccc(c2)C3CC(=O)C(C(=O)C3n4cncn4)C6NCCc5ccccc56
- Standard InChI
- InChI=1S/C33H34N4O3/c1-33(2,3)23-11-13-24(14-12-23)40-25-9-6-8-22(17-25)27-18-28(38)29(32(39)31(27)37-20-34-19-36-37)30-26-10-5-4-7-21(26)15-16-35-30/h4-14,17,19-20,27,29-31,35H,15-16,18H2,1-3H3
- Stored Murcko scaffold
- n1cnn(c1)C2[CH]C([CH]CC2c3cccc(Oc4ccccc4)c3)C5NCCc6ccccc65
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 534.649 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.676
- 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 · 14730106