Molecule card · MolClass #39443
17514379
17514379: 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
- 17514379Mitochondrial Fusion · compound_name
- MolClass ID
- 39443
- InChIKey
- SGXGTRPHFIFQHW-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=C(NNC(=O)CCC1CCCCC1)N(C)C2(=O)
- Standard InChI
- InChI=1S/C15H24N4O3/c1-18-12(10-14(21)19(2)15(18)22)16-17-13(20)9-8-11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H,17,20)
- Stored Murcko scaffold
- n1cnc(cc1)NN[CH]CCC2CCCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.797
- 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 · 17514379