Molecule card · MolClass #39271
24822156
24822156: 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
- 24822156Mitochondrial Fusion · compound_name
- MolClass ID
- 39271
- InChIKey
- VPRZFSVIRGBGCR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)Cc2c(nnn2(c1ccc(cc1Cl)Cl))C(=O)O
- Standard InChI
- InChI=1S/C11H7Cl2N3O4/c12-5-1-2-7(6(13)3-5)16-8(4-9(17)18)10(11(19)20)14-15-16/h1-3H,4H2,(H,17,18)(H,19,20)
- Stored Murcko scaffold
- n1nn(cc1)-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.097 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.835
- 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 · 24822156