Molecule card · MolClass #47198
24785278
24785278: 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
- 24785278Mitochondrial Fusion · compound_name
- MolClass ID
- 47198
- InChIKey
- IDDMDAHTXFAKFF-UHFFFAOYSA-N
- Canonical SMILES
- CCN(Cc1cnn(C)c1)Cc3nc(Cc2ccccc2Cl)no3
- Standard InChI
- InChI=1S/C17H20ClN5O/c1-3-23(11-13-9-19-22(2)10-13)12-17-20-16(21-24-17)8-14-6-4-5-7-15(14)18/h4-7,9-10H,3,8,11-12H2,1-2H3
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CNCc3cn[nH]c3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.827 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.012
- 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 · 24785278