Molecule card · MolClass #44768
14728692
14728692: 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
- 14728692Mitochondrial Fusion · compound_name
- MolClass ID
- 44768
- InChIKey
- ZSWYUYOKOAKQBR-PKPSOTRXSA-N
- Canonical SMILES
- CC(=O)OCC3OC(CCON=C(C)CCN2CCCc1nc(C)c(C)cc12)C=CC3(OC(C)=O)
- Standard InChI
- InChI=1S/C26H37N3O6/c1-17-15-24-23(27-19(17)3)7-6-12-29(24)13-10-18(2)28-33-14-11-22-8-9-25(34-21(5)31)26(35-22)16-32-20(4)30/h8-9,15,22,25-26H,6-7,10-14,16H2,1-5H3/b28-18+/t22-,25-,26+/m0/s1
- Stored Murcko scaffold
- N(OCCC1OCCC=C1)=CCCN2c3cccnc3CCC2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 12
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 487.589 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.439
- 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 · 14728692