Molecule card · MolClass #43312
14742937
14742937: 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
- 14742937Mitochondrial Fusion · compound_name
- MolClass ID
- 43312
- InChIKey
- DRHYFFWNIXHTAG-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CCC1C(C)=NN(C1(=O))c2nc(C)cc(C)n2
- Standard InChI
- InChI=1S/C15H22N4O/c1-9(2)6-7-13-12(5)18-19(14(13)20)15-16-10(3)8-11(4)17-15/h8-9,13H,6-7H2,1-5H3
- Stored Murcko scaffold
- n1cccnc1N2N=CC[CH]2
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.
- 26667350#33426
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.979
- 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 · 14742937