Molecule card · MolClass #48465
24821001
24821001: 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
- 24821001Mitochondrial Fusion · compound_name
- MolClass ID
- 48465
- InChIKey
- YDXNBDXNCAONFM-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccc(C)c2(NC(=O)Cn1nnnc1(N))
- Standard InChI
- InChI=1S/C11H14N6O/c1-7-4-3-5-8(2)10(7)13-9(18)6-17-11(12)14-15-16-17/h3-5H,6H2,1-2H3,(H,13,18)(H2,12,14,16)
- Stored Murcko scaffold
- n1ncn(n1)C[CH]Nc2ccccc2
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.
- 24803439#48272
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.075
- 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 · 24821001