Molecule card · MolClass #43138
22410010
22410010: 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
- 22410010Mitochondrial Fusion · compound_name
- MolClass ID
- 43138
- InChIKey
- FZZWPAYCLGXJIA-UHFFFAOYSA-N
- Canonical SMILES
- C=CCn1c(nnc1SCC2=CC(=O)N3C=C(C)C=CC3(=N2))c4cccc(C)c4
- Standard InChI
- InChI=1S/C22H21N5OS/c1-4-10-26-21(17-7-5-6-15(2)11-17)24-25-22(26)29-14-18-12-20(28)27-13-16(3)8-9-19(27)23-18/h4-9,11-13H,1,10,14H2,2-3H3
- Stored Murcko scaffold
- n1nc([nH]c1SCC=2N=C3C=CC=CN3[CH]C2)-c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.502 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.623
- 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 · 22410010