Molecule card · MolClass #38838
22412288
22412288: 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
- 22412288Mitochondrial Fusion · compound_name
- MolClass ID
- 38838
- InChIKey
- RINDMJQNQSEMPK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(C)n2c(nnc2(c1ccccc1Cl))n3
- Standard InChI
- InChI=1S/C13H11ClN4/c1-8-7-9(2)18-12(16-17-13(18)15-8)10-5-3-4-6-11(10)14/h3-7H,1-2H3
- Stored Murcko scaffold
- n1nc(-c2ccccc2)n3cccnc13
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.
- 1174202#16035
- 850295#30727
- 7977284#37291
- 852537#37864
- Cc1ccc(cc1)c1nnc2N=C(C)C=C(C)n21#153311
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 43.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.707 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.936
- 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 · 22412288