Molecule card · MolClass #41392
24829155
24829155: 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
- 24829155Mitochondrial Fusion · compound_name
- MolClass ID
- 41392
- InChIKey
- AHBCWBZOKBZEMN-UHFFFAOYSA-N
- Canonical SMILES
- CCn3c1ccccc1c(C(=O)CC#N)c3(c2ccccc2)
- Standard InChI
- InChI=1S/C19H16N2O/c1-2-21-16-11-7-6-10-15(16)18(17(22)12-13-20)19(21)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)-c2cc3ccccc3[nH]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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.962
- 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 · 24829155