Molecule card · MolClass #48185
24781002
24781002: 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
- 24781002Mitochondrial Fusion · compound_name
- MolClass ID
- 48185
- InChIKey
- DGHXNZQGSIGCPJ-VGOFMYFVSA-N
- Canonical SMILES
- CCc2nnc(NN=Cc1ccccc1(F))n2(N)
- Standard InChI
- InChI=1S/C11H13FN6/c1-2-10-15-17-11(18(10)13)16-14-7-8-5-3-4-6-9(8)12/h3-7H,2,13H2,1H3,(H,16,17)/b14-7+
- Stored Murcko scaffold
- n1nc(NN=Cc2ccccc2)[nH]c1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 81.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.26 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.873
- 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 · 24781002