Molecule card · MolClass #40224
24821769
24821769: 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
- 24821769Mitochondrial Fusion · compound_name
- MolClass ID
- 40224
- InChIKey
- QOHYXAYPOATJTA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(C))NC(=O)C2CC(=O)n3ncnc3(N2)
- Standard InChI
- InChI=1S/C14H15N5O2/c1-8-3-4-10(5-9(8)2)17-13(21)11-6-12(20)19-14(18-11)15-7-16-19/h3-5,7,11H,6H2,1-2H3,(H,17,21)(H,15,16,18)
- Stored Murcko scaffold
- n1cnn2[CH]CC([CH]Nc3ccccc3)Nc12
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.057
- 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 · 24821769