Molecule card · MolClass #44491
24783864
24783864: 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
- 24783864Mitochondrial Fusion · compound_name
- MolClass ID
- 44491
- InChIKey
- GDQXZPPXMQSLIG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N2C(C)=CC(C)=C(C#N)C2(=O)
- Standard InChI
- InChI=1S/C15H14N2O/c1-10-5-4-6-13(7-10)17-12(3)8-11(2)14(9-16)15(17)18/h4-8H,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C=CC=C2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.285 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.301
- 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 · 24783864