Molecule card · MolClass #51440
14743604
14743604: 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
- 14743604Mitochondrial Fusion · compound_name
- MolClass ID
- 51440
- InChIKey
- FCISRAPUIYKLPK-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN4C(N)=C(C(=O)COC(=O)CC23(CC1CC(CC(C1)C2)C3))C(=O)N(C)C4(=O)
- Standard InChI
- InChI=1S/C23H33N3O5/c1-13(2)11-26-20(24)19(21(29)25(3)22(26)30)17(27)12-31-18(28)10-23-7-14-4-15(8-23)6-16(5-14)9-23/h13-16H,4-12,24H2,1-3H3
- Stored Murcko scaffold
- n1cncc(c1)[CH]CO[CH]CC23CC4CC(CC(C4)C2)C3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 431.526 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.236
- 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 · 14743604