Molecule card · MolClass #36242
24819779
24819779: 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
- 24819779Mitochondrial Fusion · compound_name
- MolClass ID
- 36242
- InChIKey
- CNTLWKOXJAQYQO-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc1cnn2c(ccnc12)C3CC3
- Standard InChI
- InChI=1S/C10H8N4/c11-5-8-6-13-14-9(7-1-2-7)3-4-12-10(8)14/h3-4,6-7H,1-2H2
- Stored Murcko scaffold
- n1ccc(n2nccc12)C3CC3
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.
- 24820096#26770
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 184.198 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.701
- 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 · 24819779