Molecule card · MolClass #42889
24779648
24779648: 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
- 24779648Mitochondrial Fusion · compound_name
- MolClass ID
- 42889
- InChIKey
- AFCPIOOMJCPMAW-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CC1CCCCC1)Nc2ccc(cc2)c3ccc4nncn4(n3)
- Standard InChI
- InChI=1S/C19H21N5O/c25-19(12-14-4-2-1-3-5-14)21-16-8-6-15(7-9-16)17-10-11-18-22-20-13-24(18)23-17/h6-11,13-14H,1-5,12H2,(H,21,25)
- Stored Murcko scaffold
- n1nc2ccc(nn2c1)-c3ccc(cc3)N[CH]CC4CCCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.31
- 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 · 24779648