Molecule card · MolClass #36202
3715654
3715654: 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
- 3715654Mitochondrial Fusion · compound_name
- MolClass ID
- 36202
- InChIKey
- WVHYLDUVVQXHAN-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)N1CCN(CC1)CC2=CC(=O)N3C=C(C(C)=C(C3(=N2))Cl)Cl
- Standard InChI
- InChI=1S/C16H18Cl2N4O2/c1-10-13(17)9-22-14(24)7-12(19-16(22)15(10)18)8-20-3-5-21(6-4-20)11(2)23/h7,9H,3-6,8H2,1-2H3
- Stored Murcko scaffold
- N1=C2C=CC=CN2[CH]C=C1CN3CC[N]CC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.427
- 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 · 3715654