Molecule card · MolClass #38125
3713648
3713648: 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
- 3713648Mitochondrial Fusion · compound_name
- MolClass ID
- 38125
- InChIKey
- ZGUXBAHYOPFLBK-UHFFFAOYSA-N
- Canonical SMILES
- N=C2Oc5ccc1ccccc1c5(C=C2c4nnc3CCCCCn34)
- Standard InChI
- InChI=1S/C20H18N4O/c21-19-16(20-23-22-18-8-2-1-5-11-24(18)20)12-15-14-7-4-3-6-13(14)9-10-17(15)25-19/h3-4,6-7,9-10,12,21H,1-2,5,8,11H2
- Stored Murcko scaffold
- n1nc2n(c1C=3[CH]Oc4ccc5ccccc5c4C3)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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.354
- 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 · 3713648