Molecule card · MolClass #47270
4240499
4240499: 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
- 4240499Mitochondrial Fusion · compound_name
- MolClass ID
- 47270
- InChIKey
- ZLOVAKZKQCIDSC-UHFFFAOYSA-N
- Canonical SMILES
- CCN1CCN(CC1)C2=CC(=O)N(C(=O)N2)c3cc(ccc3(C))Cl
- Standard InChI
- InChI=1S/C17H21ClN4O2/c1-3-20-6-8-21(9-7-20)15-11-16(23)22(17(24)19-15)14-10-13(18)5-4-12(14)2/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,24)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C=C(N[CH]2)N3CCNCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.828 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.568
- 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 · 4240499