Molecule card · MolClass #46958
17510203
17510203: 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
- 17510203Mitochondrial Fusion · compound_name
- MolClass ID
- 46958
- InChIKey
- IWUJEXSCYGXFPP-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)NN2C(=O)c3ccccc3(NC2(c1ccc(cc1)N(C)C))
- Standard InChI
- InChI=1S/C19H22N4O3/c1-4-26-19(25)21-23-17(13-9-11-14(12-10-13)22(2)3)20-16-8-6-5-7-15(16)18(23)24/h5-12,17,20H,4H2,1-3H3,(H,21,25)
- Stored Murcko scaffold
- [N]1[CH]c2ccccc2NC1c3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.817
- 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 · 17510203