Molecule card · MolClass #35845
14725086
14725086: 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
- 14725086Mitochondrial Fusion · compound_name
- MolClass ID
- 35845
- InChIKey
- XMEPPXVRQINIME-UHFFFAOYSA-N
- Canonical SMILES
- C1CCCN(CC1)c2ccc3nnnn3(n2)
- Standard InChI
- InChI=1S/C10H14N6/c1-2-4-8-15(7-3-1)10-6-5-9-11-13-14-16(9)12-10/h5-6H,1-4,7-8H2
- Stored Murcko scaffold
- n1nc2ccc(nn2n1)N3CCCCCC3
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
- 5
- 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
- 59.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 218.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.001
- 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 · 14725086