Molecule card · MolClass #38699
17386499
17386499: 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
- 17386499Mitochondrial Fusion · compound_name
- MolClass ID
- 38699
- InChIKey
- IGXHLCOSVWDNBY-SFQUDFHCSA-N
- Canonical SMILES
- Cc1ccc(cc1)NN=C2C(=O)NN3C(=O)C=C(C)N=C23
- Standard InChI
- InChI=1S/C14H13N5O2/c1-8-3-5-10(6-4-8)16-17-12-13-15-9(2)7-11(20)19(13)18-14(12)21/h3-7,16H,1-2H3,(H,18,21)/b17-12+
- Stored Murcko scaffold
- N=1C=C[CH]N2N[CH]C(=NNc3ccccc3)C12
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.163
- 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 · 17386499