Molecule card · MolClass #43326
24802003
24802003: 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
- 24802003Mitochondrial Fusion · compound_name
- MolClass ID
- 43326
- InChIKey
- UYJAFPWGKKJXSX-UHFFFAOYSA-N
- Canonical SMILES
- CC=1CC(C)(C)N(N=1)C(C#N)c2ccccc2(O)
- Standard InChI
- InChI=1S/C14H17N3O/c1-10-8-14(2,3)17(16-10)12(9-15)11-6-4-5-7-13(11)18/h4-7,12,18H,8H2,1-3H3
- Stored Murcko scaffold
- N1=CCCN1Cc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.035
- 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 · 24802003