Molecule card · MolClass #52246
3716379
3716379: 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
- 3716379Mitochondrial Fusion · compound_name
- MolClass ID
- 52246
- InChIKey
- DVTNYDUYSOLOMJ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)CC2CCN(CC2)c4nnnn4(c3ccccc3)
- Standard InChI
- InChI=1S/C19H21N5/c1-3-7-16(8-4-1)15-17-11-13-23(14-12-17)19-20-21-22-24(19)18-9-5-2-6-10-18/h1-10,17H,11-15H2
- Stored Murcko scaffold
- n1nc(n(n1)-c2ccccc2)N3CCC(Cc4ccccc4)CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.404 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.414
- 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 · 3716379