Molecule card · MolClass #37836
14747079
14747079: 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
- 14747079Mitochondrial Fusion · compound_name
- MolClass ID
- 37836
- InChIKey
- HRQKZPDYMOIBBH-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2OC(=N)C(=Cc2(c1))c4nnc3CCCCCn34
- Standard InChI
- InChI=1S/C17H18N4O2/c1-22-12-6-7-14-11(9-12)10-13(16(18)23-14)17-20-19-15-5-3-2-4-8-21(15)17/h6-7,9-10,18H,2-5,8H2,1H3
- Stored Murcko scaffold
- n1nc2n(c1C=3[CH]Oc4ccccc4C3)CCCCC2
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
- 3
- 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
- 73.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.003
- 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 · 14747079