UCSF

ZINC01383329

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 31 Yes

Popular Name: 4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-(dimethylamino)-6-oxo-6H-1,3-oxazine-5-carbonitrile 4-(4-{[3-chloro-5-(trifluorometh…

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CAS Number: 337920-37-3

Other Names:

MFCD00202230

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.36 3.42 -14.87 1 8 0 104 451.792 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 158 KeyOrganics

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.