Molecule card · MolClass #50614
17507092
17507092: 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
- 17507092Mitochondrial Fusion · compound_name
- MolClass ID
- 50614
- InChIKey
- SRGYMLYNVHEHRJ-UHFFFAOYSA-N
- Canonical SMILES
- CC[n+]2c(ccc1cc(C)ccc12)C=C3C=CN(C)C=C3
- Standard InChI
- InChI=1S/C19H21N2/c1-4-21-18(14-16-9-11-20(3)12-10-16)7-6-17-13-15(2)5-8-19(17)21/h5-14H,4H2,1-3H3/q+1
- Stored Murcko scaffold
- c1ccc2[nH+]c(ccc2c1)C=C3C=CNC=C3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 7.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.776
- 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 · 17507092