Molecule card · MolClass #46301
4262663
4262663: 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
- 4262663Mitochondrial Fusion · compound_name
- MolClass ID
- 46301
- InChIKey
- JGKAUGPLUFANPI-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)CCCNc1nnc(C)c(O)n1
- Standard InChI
- InChI=1S/C11H21N5O/c1-4-16(5-2)8-6-7-12-11-13-10(17)9(3)14-15-11/h4-8H2,1-3H3,(H2,12,13,15,17)
- Stored Murcko scaffold
- n1nccnc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 239.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.967
- 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 · 4262663