Molecule card · MolClass #36938
24781014
24781014: 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
- 24781014Mitochondrial Fusion · compound_name
- MolClass ID
- 36938
- InChIKey
- XCXGYUOWDFHGQS-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cnc(n2(CCOC(=O)NC(=O)c1ccc(F)cc1))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H13FN4O5/c1-9-8-16-13(19(22)23)18(9)6-7-24-14(21)17-12(20)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3,(H,17,20,21)
- Stored Murcko scaffold
- n1ccn(c1)CCO[CH]N[CH]c2ccccc2
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
- 5
- 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
- 116.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.565
- 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 · 24781014