Molecule card · MolClass #39852
24801562
24801562: 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
- 24801562Mitochondrial Fusion · compound_name
- MolClass ID
- 39852
- InChIKey
- FCFVXKVZBNESFC-FRKPEAEDSA-N
- Canonical SMILES
- COc2cccc(C=NNc1nccnc1Cl)c2(O)
- Standard InChI
- InChI=1S/C12H11ClN4O2/c1-19-9-4-2-3-8(10(9)18)7-16-17-12-11(13)14-5-6-15-12/h2-7,18H,1H3,(H,15,17)/b16-7+
- Stored Murcko scaffold
- n1ccnc(c1)NN=Cc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.695 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.517
- 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 · 24801562