Molecule card · MolClass #36126
24809950
24809950: 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
- 24809950Mitochondrial Fusion · compound_name
- MolClass ID
- 36126
- InChIKey
- GSTBIPUTOBWTEH-UHFFFAOYSA-N
- Canonical SMILES
- O=C3C4C(c1ccccc1)N5CCCN5(C4(C(=O)N3(c2ccccc2)))
- Standard InChI
- InChI=1S/C20H19N3O2/c24-19-16-17(14-8-3-1-4-9-14)21-12-7-13-22(21)18(16)20(25)23(19)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C3N4N(CCC4)C(c5ccccc5)C3[CH]2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 333.385 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.488
- 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 · 24809950