Molecule card · MolClass #41909
17413717
17413717: 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
- 17413717Mitochondrial Fusion · compound_name
- MolClass ID
- 41909
- InChIKey
- GLDHSVQXOWHWIS-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C=2C=C(NC(=O)c1ccc(cc1)Cl)C(=O)N3c4cc(ccc4(OC=23))Cl
- Standard InChI
- InChI=1S/C21H14Cl2N2O5/c1-2-29-21(28)14-10-15(24-18(26)11-3-5-12(22)6-4-11)19(27)25-16-9-13(23)7-8-17(16)30-20(14)25/h3-10H,2H2,1H3,(H,24,26)
- Stored Murcko scaffold
- O1c2ccccc2N3[CH]C(=CC=C13)N[CH]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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 84.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 445.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.792
- 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 · 17413717