Molecule card · MolClass #38906
17505915
17505915: 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
- 17505915Mitochondrial Fusion · compound_name
- MolClass ID
- 38906
- InChIKey
- YIROPWFEEYIJHT-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=C2C(=O)NN(c1ccc(C)c(c1)Cl)C2(=O)
- Standard InChI
- InChI=1S/C13H13ClN2O2/c1-7(2)11-12(17)15-16(13(11)18)9-5-4-8(3)10(14)6-9/h4-6H,1-3H3,(H,15,17)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH][CH][CH]N2
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.
- 17415453#30720
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.708 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.816
- 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 · 17505915