Molecule card · MolClass #42839
7976369
7976369: 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
- 7976369Mitochondrial Fusion · compound_name
- MolClass ID
- 42839
- InChIKey
- KCHZSQYIEAAJMH-UHFFFAOYSA-N
- Canonical SMILES
- CC=2OC(N)=C(C#N)C(c1ccccc1)C=2n4nnc3ccccc34
- Standard InChI
- InChI=1S/C19H15N5O/c1-12-18(24-16-10-6-5-9-15(16)22-23-24)17(13-7-3-2-4-8-13)14(11-20)19(21)25-12/h2-10,17H,21H2,1H3
- Stored Murcko scaffold
- n1nn(c2ccccc12)C3=COC=CC3c4ccccc4
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
- 5
- 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
- 89.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.65
- 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 · 7976369