Molecule card · MolClass #41475
7972490
7972490: 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
- 7972490Mitochondrial Fusion · compound_name
- MolClass ID
- 41475
- InChIKey
- OABKLXSTDIQNIN-UHFFFAOYSA-N
- Canonical SMILES
- Cc3c(C#N)c2ncnc(c1ccccc1)c2n3c4ccccc4
- Standard InChI
- InChI=1S/C20H14N4/c1-14-17(12-21)19-20(24(14)16-10-6-3-7-11-16)18(22-13-23-19)15-8-4-2-5-9-15/h2-11,13H,1H3
- Stored Murcko scaffold
- n1cnc(-c2ccccc2)c3c1ccn3-c4ccccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.747
- 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 · 7972490