Molecule card · MolClass #52015
7970625
7970625: 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
- 7970625Mitochondrial Fusion · compound_name
- MolClass ID
- 52015
- InChIKey
- WTNKZJVGLHPLRW-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(C)CN(C1)c4ncnc3c4(cnn3(c2ccc(cc2)Cl))
- Standard InChI
- InChI=1S/C18H20ClN5/c1-12-7-13(2)10-23(9-12)17-16-8-22-24(18(16)21-11-20-17)15-5-3-14(19)4-6-15/h3-6,8,11-13H,7,9-10H2,1-2H3
- Stored Murcko scaffold
- n1cnc(c2cnn(c12)-c3ccccc3)N4CCCCC4
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.839 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.091
- 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 · 7970625