Molecule card · MolClass #44546
24799900
24799900: 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
- 24799900Mitochondrial Fusion · compound_name
- MolClass ID
- 44546
- InChIKey
- CZLKMWNKKJJOTP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)CN2CCN(CC2(=O))c4nc5nonc5(nc4(NC3CC3))
- Standard InChI
- InChI=1S/C19H21N7O2/c1-12-3-2-4-13(9-12)10-25-7-8-26(11-15(25)27)19-18(20-14-5-6-14)21-16-17(22-19)24-28-23-16/h2-4,9,14H,5-8,10-11H2,1H3,(H,20,21,23)
- Stored Murcko scaffold
- n1onc2nc(c(nc12)NC3CC3)N4C[CH]N(Cc5ccccc5)CC4
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
- 6
- 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
- 100.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.571
- 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 · 24799900