UCSF

ZINC49581132

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 26 Yes

Popular Name: methyl 3-[(3-chlorobenzoyl)amino]-6-[(E)-2-(dimethylamino)ethenyl]-2-oxo-2H-pyran-5-carboxylate methyl 3-[(3-chlorobenzoyl)amino…

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CAS Number: 341966-05-0

Other Names:

MFCD01315884

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) 2.41 9.47 -20.16 1 7 0 89 376.796 6 ↓
Mid Mid (pH 6-8) 2.41 10.07 -17.66 1 7 0 89 376.796 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 208 - 210 KeyOrganics

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Rings

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

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