Molecule card · MolClass #38920
7966786
7966786: 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
- 7966786Mitochondrial Fusion · compound_name
- MolClass ID
- 38920
- InChIKey
- LVLIMPYYRIAXBX-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)CCNc2ccc3nncn3(n2)
- Standard InChI
- InChI=1S/C13H13N5/c1-2-4-11(5-3-1)8-9-14-12-6-7-13-16-15-10-18(13)17-12/h1-7,10H,8-9H2,(H,14,17)
- Stored Murcko scaffold
- n1nc2ccc(nn2c1)NCCc3ccccc3
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.
- 1988062#14980
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 239.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.572
- 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 · 7966786