Molecule card · MolClass #43791
24799125
24799125: 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
- 24799125Mitochondrial Fusion · compound_name
- MolClass ID
- 43791
- InChIKey
- JGFQODRENORJIO-UHFFFAOYSA-N
- Canonical SMILES
- CCCn3cc(CN1CCC(CC1)(Cc2ccccc2)C(=O)OCC)c(C)n3
- Standard InChI
- InChI=1S/C23H33N3O2/c1-4-13-26-18-21(19(3)24-26)17-25-14-11-23(12-15-25,22(27)28-5-2)16-20-9-7-6-8-10-20/h6-10,18H,4-5,11-17H2,1-3H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CN2CCC(Cc3ccccc3)CC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.528 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.571
- 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 · 24799125