Molecule card · MolClass #41382
24783539
24783539: 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
- 24783539Mitochondrial Fusion · compound_name
- MolClass ID
- 41382
- InChIKey
- QOCVOLKIRKMNOT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(c(nn2(CCCC(=O)NC1CCCCC1))[N+](=O)[O-])Cl
- Standard InChI
- InChI=1S/C14H21ClN4O3/c1-10-13(15)14(19(21)22)17-18(10)9-5-8-12(20)16-11-6-3-2-4-7-11/h11H,2-9H2,1H3,(H,16,20)
- Stored Murcko scaffold
- n1cccn1CCC[CH]NC2CCCCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.795 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.143
- 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 · 24783539