Molecule card · MolClass #49234
24815578
24815578: 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
- 24815578Mitochondrial Fusion · compound_name
- MolClass ID
- 49234
- InChIKey
- FGNAURXVFVAXJQ-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)CCN(C(=O)c1c(F)cccc1(F))c3nc2cc(C)cc(C)c2s3
- Standard InChI
- InChI=1S/C22H25F2N3OS/c1-5-26(6-2)10-11-27(21(28)19-16(23)8-7-9-17(19)24)22-25-18-13-14(3)12-15(4)20(18)29-22/h7-9,12-13H,5-6,10-11H2,1-4H3
- Stored Murcko scaffold
- [N]([CH]c1ccccc1)c2nc3ccccc3s2
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.
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 417.517 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.728
- 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 · 24815578