Molecule card · MolClass #41154
24806321
24806321: 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
- 24806321Mitochondrial Fusion · compound_name
- MolClass ID
- 41154
- InChIKey
- RJWUAOJSWRXVTM-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(c(nn2(CC(=O)NCC1CCCO1))[N+](=O)[O-])Cl
- Standard InChI
- InChI=1S/C11H15ClN4O4/c1-7-10(12)11(16(18)19)14-15(7)6-9(17)13-5-8-3-2-4-20-8/h8H,2-6H2,1H3,(H,13,17)
- Stored Murcko scaffold
- n1cccn1C[CH]NCC2OCCC2
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.
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
- 99.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.715 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.152
- 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 · 24806321