Molecule card · MolClass #41916
22400623
22400623: 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
- 22400623Mitochondrial Fusion · compound_name
- MolClass ID
- 41916
- InChIKey
- VZUCNELPHXPWHY-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5OC(=O)c3cc(C(=O)Nc1cc(no1)c2cccc(F)c2)sc3c5(c4)
- Standard InChI
- InChI=1S/C22H13FN2O4S/c1-11-5-6-17-14(7-11)20-15(22(27)28-17)9-18(30-20)21(26)24-19-10-16(25-29-19)12-3-2-4-13(23)8-12/h2-10H,1H3,(H,24,26)
- Stored Murcko scaffold
- n1oc(cc1-c2ccccc2)N[CH]c3sc-4c([CH]Oc5ccccc54)c3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.217
- 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 · 22400623