Molecule card · MolClass #39157
24818082
24818082: 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
- 24818082Mitochondrial Fusion · compound_name
- MolClass ID
- 39157
- InChIKey
- VOKJNQXPLXPALN-UHFFFAOYSA-N
- Canonical SMILES
- N=C(Cn1cncn1)NNC(=O)c2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C11H10Cl2N6O/c12-7-1-2-8(9(13)3-7)11(20)18-17-10(14)4-19-6-15-5-16-19/h1-3,5-6H,4H2,(H2,14,17)(H,18,20)
- Stored Murcko scaffold
- n1cnn(c1)C[CH]NN[CH]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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.143 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.525
- 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 · 24818082