Molecule card · MolClass #40154
7972392
7972392: 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
- 7972392Mitochondrial Fusion · compound_name
- MolClass ID
- 40154
- InChIKey
- HOUXYJOXPAQDMI-UHFFFAOYSA-N
- Canonical SMILES
- CC=1CC(C)(C)N=C(N=1)Nc2nc(C)c3ccccc3(n2)
- Standard InChI
- InChI=1S/C16H19N5/c1-10-9-16(3,4)21-15(17-10)20-14-18-11(2)12-7-5-6-8-13(12)19-14/h5-8H,9H2,1-4H3,(H,18,19,20,21)
- Stored Murcko scaffold
- n1cc2ccccc2nc1NC=3N=CCCN3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.864
- 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 · 7972392