Molecule card · MolClass #38676
7966856
7966856: 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
- 7966856Mitochondrial Fusion · compound_name
- MolClass ID
- 38676
- InChIKey
- ARCLCFVQOMKCIK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(CNc1nc(N)n(n1)c2ccccc2)
- Standard InChI
- InChI=1S/C16H17N5/c1-12-7-5-6-8-13(12)11-18-16-19-15(17)21(20-16)14-9-3-2-4-10-14/h2-10H,11H2,1H3,(H3,17,18,19,20)
- Stored Murcko scaffold
- n1cn(nc1NCc2ccccc2)-c3ccccc3
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
- 4
- 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
- 68.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.257
- 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 · 7966856