Molecule card · MolClass #51025
17411446
17411446: 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
- 17411446Mitochondrial Fusion · compound_name
- MolClass ID
- 51025
- InChIKey
- LDTLHDPVXHHMGS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCN(CC3)C(=O)OC(C)(C)C
- Standard InChI
- InChI=1S/C24H31N3O3/c1-18-5-9-20(10-6-18)22(28)25-17-19-7-11-21(12-8-19)26-13-15-27(16-14-26)23(29)30-24(2,3)4/h5-12H,13-17H2,1-4H3,(H,25,28)
- Stored Murcko scaffold
- [N]1CCN(c2ccc(cc2)CN[CH]c3ccccc3)CC1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.522 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.806
- 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 · 17411446