Molecule card · MolClass #38602
17433992
17433992: 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
- 17433992Mitochondrial Fusion · compound_name
- MolClass ID
- 38602
- InChIKey
- KJYPTZSGYYAXJO-ZEELXFFVSA-N
- Canonical SMILES
- Cc2ncc(CO)c(C=NN=Cc1ccccc1(O))c2(O)
- Standard InChI
- InChI=1S/C15H15N3O3/c1-10-15(21)13(12(9-19)6-16-10)8-18-17-7-11-4-2-3-5-14(11)20/h2-8,19-21H,9H2,1H3/b17-7+,18-8+
- Stored Murcko scaffold
- N(N=Cc1ccccc1)=Cc2ccncc2
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.176
- 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 · 17433992