Molecule card · MolClass #37188
865134
865134: 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
- 865134Mitochondrial Fusion · compound_name
- MolClass ID
- 37188
- InChIKey
- NFUFBAQBJIGINC-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C2CC(O)=C5C(C2)=Nc3ncnn3C5(c4ccccc4(C))
- Standard InChI
- InChI=1S/C23H22N4O2/c1-14-5-3-4-6-18(14)22-21-19(26-23-24-13-25-27(22)23)11-16(12-20(21)28)15-7-9-17(29-2)10-8-15/h3-10,13,16,22,28H,11-12H2,1-2H3
- Stored Murcko scaffold
- n1cnn2c1N=C3C(=CCC(c4ccccc4)C3)C2c5ccccc5
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
- 4
- 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
- 72.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.211
- 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 · 865134