Molecule card · MolClass #39803
24780090
24780090: 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
- 24780090Mitochondrial Fusion · compound_name
- MolClass ID
- 39803
- InChIKey
- MYWCAYNMUURAFL-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c(C)c(C)sc2(NC(=O)Cn1cnc(n1)[N+](=O)[O-])
- Standard InChI
- InChI=1S/C13H15N5O5S/c1-4-23-12(20)10-7(2)8(3)24-11(10)15-9(19)5-17-6-14-13(16-17)18(21)22/h6H,4-5H2,1-3H3,(H,15,19)
- Stored Murcko scaffold
- n1cnn(c1)C[CH]Nc2sccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 157.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.02
- 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 · 24780090