Molecule card · MolClass #45456
24798988
24798988: 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
- 24798988Mitochondrial Fusion · compound_name
- MolClass ID
- 45456
- InChIKey
- WXHCWYBXXCSINP-UHFFFAOYSA-N
- Canonical SMILES
- c2cc1CN(CCc1c(c2)Cl)Cc3nc(no3)c4cnccn4
- Standard InChI
- InChI=1S/C16H14ClN5O/c17-13-3-1-2-11-9-22(7-4-12(11)13)10-15-20-16(21-23-15)14-8-18-5-6-19-14/h1-3,5-6,8H,4,7,9-10H2
- Stored Murcko scaffold
- n1ccnc(c1)-c2noc(n2)CN3Cc4ccccc4CC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.769 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.675
- 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 · 24798988