Molecule card · MolClass #37081
22401934
22401934: 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
- 22401934Mitochondrial Fusion · compound_name
- MolClass ID
- 37081
- InChIKey
- JWOQXOATBRDTTQ-AATRIKPKSA-N
- Canonical SMILES
- CCn2cc(CNC(=O)C=Cc1cnn(C)c1)c(C)n2
- Standard InChI
- InChI=1S/C14H19N5O/c1-4-19-10-13(11(2)17-19)8-15-14(20)6-5-12-7-16-18(3)9-12/h5-7,9-10H,4,8H2,1-3H3,(H,15,20)/b6-5+
- Stored Murcko scaffold
- n1cc(C=C[CH]NCc2cn[nH]c2)c[nH]1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.334 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.036
- 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 · 22401934