Molecule card · MolClass #36049
7966232
7966232: 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
- 7966232Mitochondrial Fusion · compound_name
- MolClass ID
- 36049
- InChIKey
- JSGFVBLYJCPZAZ-WYMLVPIESA-N
- Canonical SMILES
- CC(C)OC(O)=C3C(C)=Nc1ncnn1C3(c2cccnc2)
- Standard InChI
- InChI=1S/C15H17N5O2/c1-9(2)22-14(21)12-10(3)19-15-17-8-18-20(15)13(12)11-5-4-6-16-7-11/h4-9,13,21H,1-3H3/b14-12+
- Stored Murcko scaffold
- n1cccc(c1)C2[CH]C=Nc3ncnn32
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.473
- 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 · 7966232