Molecule card · MolClass #43267
14729910
14729910: 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
- 14729910Mitochondrial Fusion · compound_name
- MolClass ID
- 43267
- InChIKey
- NOLKRXQSIJCZRB-YGTQTKKHSA-N
- Canonical SMILES
- CCOC(=O)C(C=Nc2cc(C)nn2(c1ccc(cc1)Cl))=C(O)OCC
- Standard InChI
- InChI=1S/C18H20ClN3O4/c1-4-25-17(23)15(18(24)26-5-2)11-20-16-10-12(3)21-22(16)14-8-6-13(19)7-9-14/h6-11,23H,4-5H2,1-3H3/b17-15+,20-11+
- Stored Murcko scaffold
- n1cccn1-c2ccccc2
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.
View all molecules with this 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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.823 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.837
- 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 · 14729910