Molecule card · MolClass #37947
24808371
24808371: 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
- 24808371Mitochondrial Fusion · compound_name
- MolClass ID
- 37947
- InChIKey
- FTOZHDVIBQNOEF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)NC2=NC(N)=NC(C)(C)N2
- Standard InChI
- InChI=1S/C12H17N5/c1-8-5-4-6-9(7-8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
- Stored Murcko scaffold
- N=1C=NCNC1Nc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.729
- 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 · 24808371