Molecule card · MolClass #38941
24803196
24803196: 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
- 24803196Mitochondrial Fusion · compound_name
- MolClass ID
- 38941
- InChIKey
- SYCLJVQVALICGD-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=O)C3=C(C)Nc1ncnn1C3(c2cccnc2)
- Standard InChI
- InChI=1S/C16H20N6O/c1-4-21(5-2)15(23)13-11(3)20-16-18-10-19-22(16)14(13)12-7-6-8-17-9-12/h6-10,14H,4-5H2,1-3H3,(H,18,19,20)
- Stored Murcko scaffold
- n1cccc(c1)C2C=CNc3ncnn32
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.703
- 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 · 24803196