Molecule card · MolClass #38410
24809132
24809132: 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
- 24809132Mitochondrial Fusion · compound_name
- MolClass ID
- 38410
- InChIKey
- OGAOXBRSUIHURM-UHFFFAOYSA-N
- Canonical SMILES
- CC3=C(NC1=CC(=O)CC(C)(C)C1)C(=O)N(c2ccccc2)N3(C)
- Standard InChI
- InChI=1S/C19H23N3O2/c1-13-17(20-14-10-16(23)12-19(2,3)11-14)18(24)22(21(13)4)15-8-6-5-7-9-15/h5-10,20H,11-12H2,1-4H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C(=CN2)NC3=C[CH]CCC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.966
- 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 · 24809132