Molecule card · MolClass #36482
24821159
24821159: 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
- 24821159Mitochondrial Fusion · compound_name
- MolClass ID
- 36482
- InChIKey
- TVEWQLFYNXEOIX-UHFFFAOYSA-N
- Canonical SMILES
- COCCNC(=O)C=2CC(CN1C=C(C#N)C(=O)N(C)C1(=O))ON=2
- Standard InChI
- InChI=1S/C14H17N5O5/c1-18-13(21)9(6-15)7-19(14(18)22)8-10-5-11(17-24-10)12(20)16-3-4-23-2/h7,10H,3-5,8H2,1-2H3,(H,16,20)
- Stored Murcko scaffold
- N=1OC(CC1)CN2[CH][N][CH]C=C2
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.
- 24821158#36063
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.491
- 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 · 24821159