Molecule card · MolClass #51818
14727031
14727031: 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
- 14727031Mitochondrial Fusion · compound_name
- MolClass ID
- 51818
- InChIKey
- DHLLUTCBIJFEBI-UHFFFAOYSA-N
- Canonical SMILES
- CCC1CCCCN1c3cc(C)nc2cc(nn23)c4cccc(C)c4
- Standard InChI
- InChI=1S/C21H26N4/c1-4-18-10-5-6-11-24(18)21-13-16(3)22-20-14-19(23-25(20)21)17-9-7-8-15(2)12-17/h7-9,12-14,18H,4-6,10-11H2,1-3H3
- Stored Murcko scaffold
- n1ccc(n2nc(cc12)-c3ccccc3)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.
- 14726673#51819
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 33.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.459 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.888
- 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 · 14727031