Molecule card · MolClass #39634
24825409
24825409: 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
- 24825409Mitochondrial Fusion · compound_name
- MolClass ID
- 39634
- InChIKey
- WNLWQXPSPUDQGA-GXDHUFHOSA-N
- Canonical SMILES
- Cc1cccc(c1)N2CCC(N=CN(C)C)=N2
- Standard InChI
- InChI=1S/C13H18N4/c1-11-5-4-6-12(9-11)17-8-7-13(15-17)14-10-16(2)3/h4-6,9-10H,7-8H2,1-3H3/b14-10+
- Stored Murcko scaffold
- N1=CCCN1c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 31.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.578
- 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 · 24825409