Molecule card · MolClass #36411
3717587
3717587: 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
- 3717587Mitochondrial Fusion · compound_name
- MolClass ID
- 36411
- InChIKey
- HGGDYSPEGHTQDC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(no1)NC(=O)COn3nnc2ccc(cc23)Cl
- Standard InChI
- InChI=1S/C12H10ClN5O3/c1-7-4-11(16-21-7)14-12(19)6-20-18-10-5-8(13)2-3-9(10)15-17-18/h2-5H,6H2,1H3,(H,14,16,19)
- Stored Murcko scaffold
- n1nn(OC[CH]Nc2nocc2)c3ccccc13
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.
- 3716711#27286
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.693 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.752
- 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 · 3717587