Molecule card · MolClass #40290
843691
843691: 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
- 843691Mitochondrial Fusion · compound_name
- MolClass ID
- 40290
- InChIKey
- ZXGHLPMDSDKGPG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cnn(C1CCN(C)CC1)c2(N)
- Standard InChI
- InChI=1S/C10H18N4/c1-8-7-12-14(10(8)11)9-3-5-13(2)6-4-9/h7,9H,3-6,11H2,1-2H3
- Stored Murcko scaffold
- n1cccn1C2CCNCC2
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.
- 3712762#41626
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 194.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.849
- 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 · 843691