Molecule card · MolClass #36589
7974414
7974414: 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
- 7974414Mitochondrial Fusion · compound_name
- MolClass ID
- 36589
- InChIKey
- QWDFAKMUQGNGNR-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nn3cc1c(C(=O)N(C)C(=O)N1(C))c3(c2ccccc2)
- Standard InChI
- InChI=1S/C16H16N4O3/c1-10(21)17-20-9-12-13(14(20)11-7-5-4-6-8-11)15(22)19(3)16(23)18(12)2/h4-9H,1-3H3,(H,17,21)
- Stored Murcko scaffold
- n1cnc2c[nH]c(-c3ccccc3)c2c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.156
- 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 · 7974414