Molecule card · MolClass #49838
24707932
24707932: 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
- 24707932Mitochondrial Fusion · compound_name
- MolClass ID
- 49838
- InChIKey
- UZPCRDYFFMZZGY-NEKDWFFYSA-N
- Canonical SMILES
- CC3(C=CC(Cc1ccccc1)N3(C(=O)c2ccccc2))(C(=O)NCCCNc4ncc(cc4Cl)C(F)(F)F)
- Standard InChI
- InChI=1S/C29H28ClF3N4O2/c1-28(27(39)35-16-8-15-34-25-24(30)18-22(19-36-25)29(31,32)33)14-13-23(17-20-9-4-2-5-10-20)37(28)26(38)21-11-6-3-7-12-21/h2-7,9-14,18-19,23H,8,15-17H2,1H3,(H,34,36)(H,35,39)/t23-,28+/m0/s1
- Stored Murcko scaffold
- n1ccccc1NCCCN[CH]C2C=CC(N2[CH]c3ccccc3)Cc4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 12
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 557.007 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.32
- 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 · 24707932