Molecule card · MolClass #43364
24837202
24837202: 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
- 24837202Mitochondrial Fusion · compound_name
- MolClass ID
- 43364
- InChIKey
- LZWJFQBILOLXMS-UHFFFAOYSA-N
- Canonical SMILES
- CCCCNC(=O)N(CC)C2=C(N)N(Cc1ccccc1)C(=O)NC2(=O)
- Standard InChI
- InChI=1S/C18H25N5O3/c1-3-5-11-20-17(25)22(4-2)14-15(19)23(18(26)21-16(14)24)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12,19H2,1-2H3,(H,20,25)(H,21,24,26)
- Stored Murcko scaffold
- c1ccc(cc1)CN2C=C[CH]N[CH]2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.786
- 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 · 24837202