Molecule card · MolClass #47060
14726753
14726753: 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
- 14726753Mitochondrial Fusion · compound_name
- MolClass ID
- 47060
- InChIKey
- BJUUIOGWFNUWQF-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)c2ncn(CC(=O)NC1CCCCCC1)c2N(C)C3(=O)
- Standard InChI
- InChI=1S/C16H23N5O3/c1-19-14-13(15(23)20(2)16(19)24)17-10-21(14)9-12(22)18-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,18,22)
- Stored Murcko scaffold
- n1cnc2c(ncn2C[CH]NC3CCCCCC3)c1
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.416
- 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 · 14726753