Molecule card · MolClass #40164
17510176
17510176: 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
- 17510176Mitochondrial Fusion · compound_name
- MolClass ID
- 40164
- InChIKey
- MAEHOQZRTQHSGN-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1cc(cs1)C(=O)N2N=C(C)CC2(O)C(F)(F)F
- Standard InChI
- InChI=1S/C13H15F3N2O2S/c1-7(2)10-4-9(6-21-10)11(19)18-12(20,13(14,15)16)5-8(3)17-18/h4,6-7,20H,5H2,1-3H3
- Stored Murcko scaffold
- N1=CCCN1[CH]c2cscc2
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.
- 17510179#41037
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.04
- 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 · 17510176