Molecule card · MolClass #38972
24818601
24818601: 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
- 24818601Mitochondrial Fusion · compound_name
- MolClass ID
- 38972
- InChIKey
- UETYKRBKLFGLLI-UHFFFAOYSA-N
- Canonical SMILES
- N=C(Cn1cncn1)NNC(=O)C(=O)Nc2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C12H11Cl2N7O2/c13-7-1-2-9(8(14)3-7)18-11(22)12(23)20-19-10(15)4-21-6-16-5-17-21/h1-3,5-6H,4H2,(H2,15,19)(H,18,22)(H,20,23)
- Stored Murcko scaffold
- n1cnn(c1)C[CH]NN[CH][CH]Nc2ccccc2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.168 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.556
- 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 · 24818601