Molecule card · MolClass #15810
1986531
1986531: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14738196Mitochondrial Fusion · compound_name
- MolClass ID
- 15810
- InChIKey
- NKEOPHSFXBRTPJ-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1nc(nc(n1)n2cc(nn2)c3ccccc3)N4CCCCC4
- Standard InChI
- InChI=1S/C18H21N7O/c1-2-26-18-20-16(24-11-7-4-8-12-24)19-17(21-18)25-13-15(22-23-25)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3
- Stored Murcko scaffold
- n1nn(cc1-c2ccccc2)-c3ncnc(n3)N4CCCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.07
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1986531
Mitochondrial Fusion
Dataset #19 · 14738196