Molecule card · MolClass #37961
17386764
17386764: 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
- 17386764Mitochondrial Fusion · compound_name
- MolClass ID
- 37961
- InChIKey
- CRHBLCIHJHRXRQ-UHFFFAOYSA-N
- Canonical SMILES
- CC2=NN=C(Nc1ccc(cc1)Cl)N(N)C2(=O)
- Standard InChI
- InChI=1S/C10H10ClN5O/c1-6-9(17)16(12)10(15-14-6)13-8-4-2-7(11)3-5-8/h2-5H,12H2,1H3,(H,13,15)
- Stored Murcko scaffold
- n1nc(ncc1)Nc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.673 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.949
- 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 · 17386764