Molecule card · MolClass #9259
Tifluadom
Tifluadom: 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
- TifluadomBlood Brain Barrier · compound_name
- MolClass ID
- 9259
- InChIKey
- RWJNKNFUNQGDEQ-JOCHJYFZSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NCC4CN=C(c2ccc(F)cc2)c3ccc(C)cc3N4(C)
- Standard InChI
- InChI=1S/C26H26FN3O/c1-17-4-7-20(8-5-17)26(31)29-16-22-15-28-25(19-9-11-21(27)12-10-19)23-13-6-18(2)14-24(23)30(22)3/h4-14,22H,15-16H2,1-3H3,(H,29,31)/t22-/m1/s1
- Stored Murcko scaffold
- N1=C(c2ccccc2)c3ccccc3NC(C1)CN[CH]c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 415.504 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.456
- 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.
Blood Brain Barrier
Dataset #7 · Tifluadom