Molecule card · MolClass #42848
7970786
7970786: 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
- 7970786Mitochondrial Fusion · compound_name
- MolClass ID
- 42848
- InChIKey
- MPZXBKMWZYOGLD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1cccnc1)NC2(Oc3ccc(cc3(O2))Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C15H11ClF3N3O3/c16-10-3-4-11-12(6-10)25-15(24-11,14(17,18)19)22-13(23)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H2,21,22,23)
- Stored Murcko scaffold
- n1cccc(c1)CN[CH]NC2Oc3ccccc3O2
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.
- 4245889#47133
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.715 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.324
- 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 · 7970786