Molecule card · MolClass #36350
852442
852442: 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
- 852442Mitochondrial Fusion · compound_name
- MolClass ID
- 36350
- InChIKey
- ZZGGEPQSJVNVRQ-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C1=NC(=O)N2CCN(CC)C2(=N1)
- Standard InChI
- InChI=1S/C11H19N5O/c1-4-14(5-2)9-12-10-15(6-3)7-8-16(10)11(17)13-9/h4-8H2,1-3H3
- Stored Murcko scaffold
- N1=CN=C2NCCN2[CH]1
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.
- 4258069#27065
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.398
- 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 · 852442