Molecule card · MolClass #43556
14725243
14725243: 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
- 14725243Mitochondrial Fusion · compound_name
- MolClass ID
- 43556
- InChIKey
- HWMPEXNQLRDKOT-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(Cc1ccccc1C(NNC(=O)c2cccnc2)=N3)
- Standard InChI
- InChI=1S/C17H18N4O/c1-17(2)10-12-6-3-4-8-14(12)15(19-17)20-21-16(22)13-7-5-9-18-11-13/h3-9,11H,10H2,1-2H3,(H,19,20)(H,21,22)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NNC2=NCCc3ccccc23
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.352 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.828
- 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 · 14725243