Molecule card · MolClass #38107
4251565
4251565: 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
- 4251565Mitochondrial Fusion · compound_name
- MolClass ID
- 38107
- InChIKey
- IVJIRIRKJITLCS-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nonc1n4nnc(C(=O)c2ccccc2)c4(c3ccccc3)
- Standard InChI
- InChI=1S/C17H12N6O2/c18-16-17(21-25-20-16)23-14(11-7-3-1-4-8-11)13(19-22-23)15(24)12-9-5-2-6-10-12/h1-10H,(H2,18,20)
- Stored Murcko scaffold
- n1nn(-c2nonc2)c(c1[CH]c3ccccc3)-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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.861
- 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 · 4251565