Molecule card · MolClass #36056
7972073
7972073: 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
- 7972073Mitochondrial Fusion · compound_name
- MolClass ID
- 36056
- InChIKey
- PERKQRIVWKEKQF-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)C=2CN(CCN1CCNCC1)CNC=2N(C)C3(=O)
- Standard InChI
- InChI=1S/C14H24N6O2/c1-17-12-11(13(21)18(2)14(17)22)9-20(10-16-12)8-7-19-5-3-15-4-6-19/h15-16H,3-10H2,1-2H3
- Stored Murcko scaffold
- n1cnc2NCN(Cc2c1)CCN3CCNCC3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.563
- 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 · 7972073