Molecule card · MolClass #51136
17406870
17406870: 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
- 17406870Mitochondrial Fusion · compound_name
- MolClass ID
- 51136
- InChIKey
- DQBUZQMNIZVMBN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(C))Nc2ccc(nn2)n3ccnc3
- Standard InChI
- InChI=1S/C15H15N5/c1-11-3-4-13(9-12(11)2)17-14-5-6-15(19-18-14)20-8-7-16-10-20/h3-10H,1-2H3,(H,17,18)
- Stored Murcko scaffold
- n1ccn(c1)-c2nnc(cc2)Nc3ccccc3
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.
- 24795259#28827
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.314 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.292
- 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 · 17406870