Molecule card · MolClass #43809
17514541
17514541: 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
- 17514541Mitochondrial Fusion · compound_name
- MolClass ID
- 43809
- InChIKey
- INDDBIGFCNMJAH-LZYBPNLTSA-N
- Canonical SMILES
- CC(C)(C)C2=NN=C(NN=Cc1ccc(O)cc1)N(N)C2(=O)
- Standard InChI
- InChI=1S/C14H18N6O2/c1-14(2,3)11-12(22)20(15)13(19-17-11)18-16-8-9-4-6-10(21)7-5-9/h4-8,21H,15H2,1-3H3,(H,18,19)/b16-8+
- Stored Murcko scaffold
- n1nc(ncc1)NN=Cc2ccccc2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.775
- 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 · 17514541