Molecule card · MolClass #51297
17386290
17386290: 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
- 17386290Mitochondrial Fusion · compound_name
- MolClass ID
- 51297
- InChIKey
- QYJINNTYHPAUSF-KEBDBYFISA-N
- Canonical SMILES
- CC1(C)(CC(=O)C5=C(C1)N=C3N(C(=O)C(=Cc2ccc(F)c(F)c2)S3)C5(c4ccc(F)cc4))
- Standard InChI
- InChI=1S/C25H19F3N2O2S/c1-25(2)11-18-21(19(31)12-25)22(14-4-6-15(26)7-5-14)30-23(32)20(33-24(30)29-18)10-13-3-8-16(27)17(28)9-13/h3-10,22H,11-12H2,1-2H3/b20-10+
- Stored Murcko scaffold
- N1=C2SC(=Cc3ccccc3)[CH]N2C(c4ccccc4)C=5[CH]CCCC15
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 468.493 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.654
- 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 · 17386290