Molecule card · MolClass #44275
7976315
7976315: 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
- 7976315Mitochondrial Fusion · compound_name
- MolClass ID
- 44275
- InChIKey
- DXMGXSLERYJGTB-UHFFFAOYSA-N
- Canonical SMILES
- O=P(O)(CCc1ccccn1)CN2CCCCC2
- Standard InChI
- InChI=1S/C13H21N2O2P/c16-18(17,12-15-9-4-1-5-10-15)11-7-13-6-2-3-8-14-13/h2-3,6,8H,1,4-5,7,9-12H2,(H,16,17)
- Stored Murcko scaffold
- n1ccccc1CCPCN2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.677
- 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 · 7976315