Molecule card · MolClass #37922
24794295
24794295: 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
- 24794295Mitochondrial Fusion · compound_name
- MolClass ID
- 37922
- InChIKey
- JJVPGWZDTCTHPA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1cccnc1)c2nn3cccnc3(c2Cl)
- Standard InChI
- InChI=1S/C13H10ClN5O/c14-10-11(18-19-6-2-5-16-12(10)19)13(20)17-8-9-3-1-4-15-7-9/h1-7H,8H2,(H,17,20)
- Stored Murcko scaffold
- n1cccc(c1)CN[CH]c2nn3cccnc3c2
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
- 5
- 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
- 72.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.705 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.897
- 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 · 24794295