Molecule card · MolClass #47100
14732481
14732481: 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
- 14732481Mitochondrial Fusion · compound_name
- MolClass ID
- 47100
- InChIKey
- NOYCLQAABKIYGL-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc1c(ccn2nc(nc12)C3CCCCC3)c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C19H17ClN4/c20-15-8-6-13(7-9-15)16-10-11-24-19(17(16)12-21)22-18(23-24)14-4-2-1-3-5-14/h6-11,14H,1-5H2
- Stored Murcko scaffold
- n1c(nn2ccc(cc12)-c3ccccc3)C4CCCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.819 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.471
- 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 · 14732481