Molecule card · MolClass #44467
7965296
7965296: 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
- 7965296Mitochondrial Fusion · compound_name
- MolClass ID
- 44467
- InChIKey
- TZUFTCLRLURMCD-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC(CC1)Nc3nc2ccccc2n4cnnc34
- Standard InChI
- InChI=1S/C15H17N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h4-5,8-11H,1-3,6-7H2,(H,17,18)
- Stored Murcko scaffold
- n1nc2c(nc3ccccc3n2c1)NC4CCCCC4
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.
- 49666805#28963
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.554
- 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 · 7965296