Molecule card · MolClass #43168
24799408
24799408: 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
- 24799408Mitochondrial Fusion · compound_name
- MolClass ID
- 43168
- InChIKey
- ZCQMXENLUQAJCM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C1CCCN(C1)C(=O)c2cc[n+]([O-])cc2)c3ccc5CCc4cccc3c45
- Standard InChI
- InChI=1S/C24H22N2O3/c27-23(21-9-8-17-7-6-16-3-1-5-20(21)22(16)17)19-4-2-12-25(15-19)24(28)18-10-13-26(29)14-11-18/h1,3,5,8-11,13-14,19H,2,4,6-7,12,15H2
- Stored Murcko scaffold
- c1cc2c(ccc3c2c(c1)CC3)[CH]C4CN([CH]c5cc[nH+]cc5)CCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.444 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.367
- 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 · 24799408