Molecule card · MolClass #38413
17513336
17513336: 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
- 17513336Mitochondrial Fusion · compound_name
- MolClass ID
- 38413
- InChIKey
- CUFSFNRFDWZTOJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3nc4C(=O)N(C1CCCCC1)C(=O)Nc4(nc3(cc2(N)))
- Standard InChI
- InChI=1S/C17H19N5O2/c1-9-7-12-13(8-11(9)18)20-15-14(19-12)16(23)22(17(24)21-15)10-5-3-2-4-6-10/h7-8,10H,2-6,18H2,1H3,(H,20,21,24)
- Stored Murcko scaffold
- n1c2ccccc2nc3N[CH]N([CH]c13)C4CCCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.366 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.617
- 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 · 17513336