Molecule card · MolClass #43870
24800237
24800237: 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
- 24800237Mitochondrial Fusion · compound_name
- MolClass ID
- 43870
- InChIKey
- QZCHLQWUJMTREY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCc1cnccn1)NC4CCCc3c4(cnn3(c2ccc(F)cc2(F)))
- Standard InChI
- InChI=1S/C20H19F2N5O/c21-13-4-6-19(16(22)10-13)27-18-3-1-2-17(15(18)12-25-27)26-20(28)7-5-14-11-23-8-9-24-14/h4,6,8-12,17H,1-3,5,7H2,(H,26,28)
- Stored Murcko scaffold
- n1ccnc(c1)CC[CH]NC2c3cnn(-c4ccccc4)c3CCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.072
- 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 · 24800237