Molecule card · MolClass #41027
22412375
22412375: 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
- 22412375Mitochondrial Fusion · compound_name
- MolClass ID
- 41027
- InChIKey
- DSLMXVUSWWZKJA-PXNMLYILSA-N
- Canonical SMILES
- CCn2cc(C=NNC(=O)Cc1ccc(cc1)Cl)cn2
- Standard InChI
- InChI=1S/C14H15ClN4O/c1-2-19-10-12(9-17-19)8-16-18-14(20)7-11-3-5-13(15)6-4-11/h3-6,8-10H,2,7H2,1H3,(H,18,20)/b16-8-
- Stored Murcko scaffold
- n1cc(C=NN[CH]Cc2ccccc2)c[nH]1
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.749 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.344
- 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 · 22412375