Molecule card · MolClass #51470
14741745
14741745: 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
- 14741745Mitochondrial Fusion · compound_name
- MolClass ID
- 51470
- InChIKey
- WOTGUOGOEKRSLA-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc(NCCCn1ccnc1)n4nc(C)c(c2ccc(cc2)Cl)c4(n3)
- Standard InChI
- InChI=1S/C20H21ClN6/c1-14-12-18(23-8-3-10-26-11-9-22-13-26)27-20(24-14)19(15(2)25-27)16-4-6-17(21)7-5-16/h4-7,9,11-13,23H,3,8,10H2,1-2H3
- Stored Murcko scaffold
- n1ccn(c1)CCCNc2ccnc3c(cnn32)-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.
- 14743192#33311
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.875 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.303
- 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 · 14741745