Molecule card · MolClass #46457
14720807
14720807: 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
- 14720807Mitochondrial Fusion · compound_name
- MolClass ID
- 46457
- InChIKey
- CZMDPSYGJSHWDV-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc2nc(O)c(cc2(c1))C5C(C#N)=C(N)Oc4c5(ccc3cccnc34)
- Standard InChI
- InChI=1S/C24H18N4O2/c1-2-13-5-8-19-15(10-13)11-17(24(29)28-19)20-16-7-6-14-4-3-9-27-21(14)22(16)30-23(26)18(20)12-25/h3-11,20H,2,26H2,1H3,(H,28,29)
- Stored Murcko scaffold
- n1cccc2ccc3c(OC=CC3c4cnc5ccccc5c4)c12
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.
- 14722643#48076
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.329
- 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 · 14720807