Molecule card · MolClass #37297
14738975
14738975: 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
- 14738975Mitochondrial Fusion · compound_name
- MolClass ID
- 37297
- InChIKey
- GQRMTBQMVATMLA-UHFFFAOYSA-N
- Canonical SMILES
- COn4c1CCCCc1c3c4(ccc2c3(no[n+]2([O-])))
- Standard InChI
- InChI=1S/C13H13N3O3/c1-18-15-9-5-3-2-4-8(9)12-10(15)6-7-11-13(12)14-19-16(11)17/h6-7H,2-5H2,1H3
- Stored Murcko scaffold
- n1o[nH+]c2ccc3[nH]c4c(c3c12)CCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.261 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.515
- 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 · 14738975