Molecule card · MolClass #50597
17508072
17508072: 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
- 17508072Mitochondrial Fusion · compound_name
- MolClass ID
- 50597
- InChIKey
- SQEFEZFMHDFXOP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c(c1)n5nc3c(ccc2C(=O)c4ccccc4(C(=O)c23))c5(O)
- Standard InChI
- InChI=1S/C23H16N2O3/c1-12-7-8-13(2)18(11-12)25-23(28)17-10-9-16-19(20(17)24-25)22(27)15-6-4-3-5-14(15)21(16)26/h3-11,28H,1-2H3
- Stored Murcko scaffold
- n1c2c(ccc3cc4ccccc4cc32)cn1-c5ccccc5
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.386 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.666
- 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 · 17508072