Molecule card · MolClass #39440
17401956
17401956: 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
- 17401956Mitochondrial Fusion · compound_name
- MolClass ID
- 39440
- InChIKey
- YNYKFJKTZNTHBF-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=1C(CC(=O)NC=1N(C)C2(=O))c3ccccc3Cl
- Standard InChI
- InChI=1S/C15H14ClN3O3/c1-18-13-12(14(21)19(2)15(18)22)9(7-11(20)17-13)8-5-3-4-6-10(8)16/h3-6,9H,7H2,1-2H3,(H,17,20)
- Stored Murcko scaffold
- n1cnc2N[CH]CC(c3ccccc3)c2c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.743 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.898
- 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 · 17401956