Molecule card · MolClass #38493
864974
864974: 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
- 864974Mitochondrial Fusion · compound_name
- MolClass ID
- 38493
- InChIKey
- URUFKBSQLGSMCF-UHFFFAOYSA-N
- Canonical SMILES
- CCCn2nnnc2(NCc1cccn1(C))
- Standard InChI
- InChI=1S/C10H16N6/c1-3-6-16-10(12-13-14-16)11-8-9-5-4-7-15(9)2/h4-5,7H,3,6,8H2,1-2H3,(H,11,12,14)
- Stored Murcko scaffold
- n1n[nH]c(n1)NCc2ccc[nH]2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.95
- 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 · 864974