Molecule card · MolClass #45982
17402741
17402741: 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
- 17402741Mitochondrial Fusion · compound_name
- MolClass ID
- 45982
- InChIKey
- RSSCLIWXBIKVBC-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CN2N=C(C)N(c1ccccc1)C2(=O)
- Standard InChI
- InChI=1S/C13H15N3O3/c1-3-19-12(17)9-15-13(18)16(10(2)14-15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
- Stored Murcko scaffold
- n1ncn(c1)-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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.797
- 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 · 17402741