Molecule card · MolClass #35547
7975139
7975139: 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
- 7975139Mitochondrial Fusion · compound_name
- MolClass ID
- 35547
- InChIKey
- HMPOXIXECQTLTG-UHFFFAOYSA-N
- Canonical SMILES
- OC14(c5nonc5(CCC4(=[N+]([O-])C2(CCCC12)N3CCOCC3)))
- Standard InChI
- InChI=1S/C15H20N4O4/c20-15-11-2-1-5-14(11,18-6-8-22-9-7-18)19(21)12(15)4-3-10-13(15)17-23-16-10/h11,20H,1-9H2
- Stored Murcko scaffold
- n1onc2c1CCC3=[NH+]C4(N5CCOCC5)CCCC4C23
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.012
- 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 · 7975139