Molecule card · MolClass #47930
22410061
22410061: 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
- 22410061Mitochondrial Fusion · compound_name
- MolClass ID
- 47930
- InChIKey
- CKTWSEFPYXPJJG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)NP(C)(=O)c3nc2CCCCc2s3
- Standard InChI
- InChI=1S/C15H19N2OPS/c1-11-6-5-7-12(10-11)17-19(2,18)15-16-13-8-3-4-9-14(13)20-15/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,18)
- Stored Murcko scaffold
- n1c(sc2c1CCCC2)PNc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.549
- 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 · 22410061