Molecule card · MolClass #49321
24811784
24811784: 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
- 24811784Mitochondrial Fusion · compound_name
- MolClass ID
- 49321
- InChIKey
- WDNOIICCOLVXNR-UHFFFAOYSA-N
- Canonical SMILES
- Fc1cccc(c1)NC(NNc3c4ccccc4(nc2ccccc23))=S
- Standard InChI
- InChI=1S/C20H15FN4S/c21-13-6-5-7-14(12-13)22-20(26)25-24-19-15-8-1-3-10-17(15)23-18-11-4-2-9-16(18)19/h1-12H,(H,23,24)(H2,22,25,26)
- Stored Murcko scaffold
- n1c2ccccc2c(NN[CH]Nc3ccccc3)c4ccccc14
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.425 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.358
- 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 · 24811784