Molecule card · MolClass #35850
4257960
4257960: 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
- 4257960Mitochondrial Fusion · compound_name
- MolClass ID
- 35850
- InChIKey
- CBILHBXWXUQROT-UHFFFAOYSA-N
- Canonical SMILES
- C=CCNC(=O)c1nn2cccnc2(c1Cl)
- Standard InChI
- InChI=1S/C10H9ClN4O/c1-2-4-13-10(16)8-7(11)9-12-5-3-6-15(9)14-8/h2-3,5-6H,1,4H2,(H,13,16)
- Stored Murcko scaffold
- n1cccn2nccc12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.658 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.054
- 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 · 4257960