Molecule card · MolClass #37215
864702
864702: 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
- 864702Mitochondrial Fusion · compound_name
- MolClass ID
- 37215
- InChIKey
- CTSJTDZHLAKPTP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)C(=O)Nc1cc(O)nc2ncnn12
- Standard InChI
- InChI=1S/C9H11N5O2/c1-5(2)8(16)12-6-3-7(15)13-9-10-4-11-14(6)9/h3-5H,1-2H3,(H,12,16)(H,10,11,13,15)
- Stored Murcko scaffold
- n1cnn2cccnc12
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.
View all molecules with this scaffold →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
- 92.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 221.216 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.532
- 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 · 864702