UCSF

ZINC49581135

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 29 Yes

Popular Name: methyl 6-[(E)-2-(dimethylamino)ethenyl]-2-oxo-3-{[3-(trifluoromethyl)benzoyl]amino}-2H-pyran-5-carboxylate methyl 6-[(E)-2-(dimethylamino)e…

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CAS Number: 341966-20-9

Other Names:

MFCD01315895

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) 2.63 9.98 -21.09 1 7 0 89 410.348 7 ↓
Mid Mid (pH 6-8) 2.63 10.56 -18.56 1 7 0 89 410.348 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 221 - 223 KeyOrganics

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Rings

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

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