Molecule card · MolClass #47559
7970260
7970260: 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
- 7970260Mitochondrial Fusion · compound_name
- MolClass ID
- 47559
- InChIKey
- KFWNBYBFNOSCHQ-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)NC(=O)c2c3(nc(NC1CCCCC1)n2(CCO))
- Standard InChI
- InChI=1S/C14H21N5O3/c1-18-11-10(12(21)17-14(18)22)19(7-8-20)13(16-11)15-9-5-3-2-4-6-9/h9,20H,2-8H2,1H3,(H,15,16)(H,17,21,22)
- Stored Murcko scaffold
- [N]1[CH]N[CH]c2[nH]c(nc12)NC3CCCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.962
- 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 · 7970260